From 05adf74dbf0161c38475821f7c5528597d717a4a Mon Sep 17 00:00:00 2001
From: Venkata Chandra Sekhar Nainala <mailcs76@gmail.com>
Date: Wed, 15 Nov 2023 22:42:35 +0100
Subject: [PATCH 1/5] fix: enable listing of files with missing flag at root
 and title udpates

---
 app/Http/Controllers/DraftController.php | 1 -
 resources/js/Pages/Welcome.vue           | 1 +
 2 files changed, 1 insertion(+), 1 deletion(-)
diff --git a/app/Http/Controllers/DraftController.php b/app/Http/Controllers/DraftController.php
index eacde9f6..0b744b04 100644
--- a/app/Http/Controllers/DraftController.php
+++ b/app/Http/Controllers/DraftController.php
@@ -87,7 +87,6 @@ public function files(Request $request, Draft $draft)
                     'children' => FileSystemObject::with('children')
                         ->where([
                             ['level', 0],
-                            ['status', '<>', 'missing'],
                             ['draft_id', $draft->id],
                         ])
                         ->orderBy('created_at', 'DESC')
diff --git a/resources/js/Pages/Welcome.vue b/resources/js/Pages/Welcome.vue
index ef8c24fe..f6829580 100644
--- a/resources/js/Pages/Welcome.vue
+++ b/resources/js/Pages/Welcome.vue
@@ -1,5 +1,6 @@
 <template>
     <div class="bg-white">
+        <Head title="Welcome"></Head>
         <main>
             <div class="relative index_beams">
                 <header>

From 8dfcc4a0a2b218ee68e7d39d8916ac44e93af508 Mon Sep 17 00:00:00 2001
From: Venkata Chandra Sekhar Nainala <mailcs76@gmail.com>
Date: Thu, 16 Nov 2023 13:13:15 +0100
Subject: [PATCH 2/5] fix:  added molecular search

---
 app/Console/Commands/SanitizeMolecules.php    |  10 +-
 .../Schemas/Bioschema/BiochemaController.php  |  12 +-
 app/Http/Controllers/API/SearchController.php | 336 +++++++
 .../Controllers/ApplicationController.php     |  16 +
 app/Http/Controllers/StudyController.php      |  12 +-
 app/Jobs/ArchiveStudy.php                     |  12 +-
 app/Models/Molecule.php                       |  20 +-
 database/factories/MoleculeFactory.php        |  28 +-
 ...23_11_15_214811_update_molecules_table.php | 150 +++
 .../scripts/initialise_molecules_index.sql    |  19 +
 resources/js/App/MoleculeCard.vue             | 153 +++
 resources/js/App/StructureSearch.vue          | 225 +++++
 resources/js/Layouts/AppLayout.vue            |   9 +
 resources/js/Mixins/Global.js                 | 219 +++++
 resources/js/Pages/Public/Compounds.vue       | 878 ++++++++++++++++++
 resources/js/Pages/Public/Project/Dataset.vue |   6 +-
 resources/js/Pages/Public/Project/Study.vue   |   6 +-
 resources/js/Pages/Public/Projects.vue        |  97 +-
 resources/js/Pages/Public/Studies.vue         |  95 +-
 resources/js/Pages/Study/About.vue            |   4 +-
 resources/js/Pages/Upload.vue                 |  12 +-
 resources/js/Pages/Welcome.vue                |   8 +-
 resources/js/Shared/ProjectSearch.vue         |   2 +-
 resources/js/Shared/Search.vue                |   4 +-
 resources/js/Shared/StudyCard.vue             |   4 +-
 resources/js/Shared/StudyCardPublic.vue       |   2 +-
 resources/js/Shared/StudyInfo.vue             |   2 +-
 resources/js/Shared/Submission.vue            |   4 +-
 routes/api.php                                |   4 +
 routes/web.php                                |   3 +
 30 files changed, 2237 insertions(+), 115 deletions(-)
 create mode 100644 app/Http/Controllers/API/SearchController.php
 create mode 100644 database/migrations/2023_11_15_214811_update_molecules_table.php
 create mode 100644 database/scripts/initialise_molecules_index.sql
 create mode 100644 resources/js/App/MoleculeCard.vue
 create mode 100644 resources/js/App/StructureSearch.vue
 create mode 100644 resources/js/Pages/Public/Compounds.vue

diff --git a/app/Console/Commands/SanitizeMolecules.php b/app/Console/Commands/SanitizeMolecules.php
index bbacd0d2..28e19b7f 100644
--- a/app/Console/Commands/SanitizeMolecules.php
+++ b/app/Console/Commands/SanitizeMolecules.php
@@ -27,17 +27,17 @@ class SanitizeMolecules extends Command
      */
     public function handle()
     {
-        $molecules = Molecule::whereNull('CANONICAL_SMILES')->get();
+        $molecules = Molecule::whereNull('canonical_smiles')->get();
 
         foreach ($molecules as $molecule) {
             echo $molecule->id;
             echo "\r\n";
             $molecule->MOL = '
             '.$molecule->MOL;
-            $standardisedMOL = $this->standardizeMolecule($molecule->MOL);
-            $molecule->CANONICAL_SMILES = $standardisedMOL['canonical_smiles'];
-            $molecule->STANDARD_INCHI = $standardisedMOL['inchi'];
-            $molecule->INCHI_KEY = $standardisedMOL['inchikey'];
+            $standardisedMOL = $this->standardizeMolecule($molecule->sdf);
+            $molecule->canonical_smiles = $standardisedMOL['canonical_smiles'];
+            $molecule->standard_inchi = $standardisedMOL['inchi'];
+            $molecule->inchi_key = $standardisedMOL['inchikey'];
             $molecule->save();
         }
     }
diff --git a/app/Http/Controllers/API/Schemas/Bioschema/BiochemaController.php b/app/Http/Controllers/API/Schemas/Bioschema/BiochemaController.php
index 05d1fa34..405c2013 100644
--- a/app/Http/Controllers/API/Schemas/Bioschema/BiochemaController.php
+++ b/app/Http/Controllers/API/Schemas/Bioschema/BiochemaController.php
@@ -230,7 +230,7 @@ public function getMolecules($sample)
     {
         $molecules = [];
         foreach ($sample->molecules as &$molecule) {
-            $inchiKey = $molecule->INCHI_KEY;
+            $inchiKey = $molecule->inchi_key;
             $pubchemLink = 'https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/'.$inchiKey.'/property/IUPACName/JSON';
             $json = json_decode(Http::get($pubchemLink)->body(), true);
             // $cid = $json['PropertyTable']['Properties'][0]['CID'];
@@ -240,14 +240,14 @@ public function getMolecules($sample)
             // $moleculeSchema['@id'] = $inchiKey;
             // $moleculeSchema['dct:conformsTo'] = $this->conformsTo(['https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE']);
             // $moleculeSchema['identifier'] = $inchiKey;
-            // $moleculeSchema->name($molecule->CAS_NUMBER);
+            // $moleculeSchema->name($molecule->cas);
             // $moleculeSchema->url('https://pubchem.ncbi.nlm.nih.gov/compound/'.$cid);
-            // $moleculeSchema->inChI('InChI='.$molecule->STANDARD_INCHI);
+            // $moleculeSchema->inChI('InChI='.$molecule->standard_inchi);
             // $moleculeSchema->inChIKey($inchiKey);
             // $moleculeSchema->iupacName($iupacName);
-            // $moleculeSchema->molecularFormula($molecule->FORMULA);
-            // $moleculeSchema->molecularWeight($molecule->MOLECULAR_WEIGHT);
-            // $moleculeSchema->smiles([$molecule->SMILES, $molecule->SMILES_CHIRAL, $molecule->CANONICAL_SMILES]);
+            // $moleculeSchema->molecularFormula($molecule->molecular_formula);
+            // $moleculeSchema->molecularWeight($molecule->molecular_weight);
+            // $moleculeSchema->smiles([$molecule->SMILES, $molecule->absolute_smiles, $molecule->canonical_smiles]);
             // $moleculeSchema->hasRepresentation($molecule->MOL);
             // $moleculeSchema->description('Percentage composition: '.$molecule->pivot->percentage_composition.'%');
             // array_push($molecules, $moleculeSchema);
diff --git a/app/Http/Controllers/API/SearchController.php b/app/Http/Controllers/API/SearchController.php
new file mode 100644
index 00000000..681c9e67
--- /dev/null
+++ b/app/Http/Controllers/API/SearchController.php
@@ -0,0 +1,336 @@
+<?php
+
+namespace App\Http\Controllers\API;
+
+use App\Http\Controllers\Controller;
+use App\Models\Molecule;
+use Illuminate\Database\QueryException;
+use Illuminate\Http\Request;
+use Illuminate\Pagination\LengthAwarePaginator;
+use Illuminate\Support\Facades\DB;
+
+class SearchController extends Controller
+{
+    /**
+     * Search DB based on the query and filter parameters
+     *
+     * @return \Illuminate\Http\Response
+     */
+
+    /**
+     * @OA\Post(
+     * path="/api/v1/search",
+     * summary="Get compound details by Compound name, SMILES, InChi & InChiKey.",
+     * description="Get compound details by Compound name, SMILES, InChi & InChiKey.",
+     * operationId="search",
+     * tags={"search"},
+     *
+     * @OA\RequestBody(
+     *    required=true,
+     *    description="Pass search query and type such as InChiKey, InChi, SMILES & text",
+     *
+     *    @OA\JsonContent(
+     *       required={"query","type"},
+     *
+     *       @OA\Property(property="query", type="string", format="query", example="AAAAWQOPBUPWEV-UHFFFAOYSA-N"),
+     *       @OA\Property(property="type", type="string", format="type", example="InChiKey"),
+     *
+     *    ),
+     *
+     * ),
+     *
+     * @OA\Response(
+     *    response=200,
+     *    description="Successful Operation"
+     *    ),
+     * @OA\Response(
+     *    response=404,
+     *    description="Not Found"
+     * )
+     * )
+     */
+    public function search(Request $request)
+    {
+        try {
+            set_time_limit(300);
+
+            $queryType = 'text';
+            $results = [];
+
+            //dd($request);
+
+            $limit = $request->query('limit');
+            $sort = $request->query('sort');
+            $limit = $limit ? $limit : 24;
+            $page = $request->query('page');
+            $tagType = $request->get('tagType') ? $request->get('tagType') : null;
+
+            $offset =
+                (($page != null && $page != 'null' && $page != 0 ? $page : 1) -
+                    1) *
+                $limit;
+
+            $query = $request->get('query');
+
+            $type = $request->query('type')
+                ? $request->query('type')
+                : $request->get('type');
+
+            if ($type) {
+                $queryType = $type;
+            } else {
+                //inchi
+                $re =
+                    '/^((InChI=)?[^J][0-9BCOHNSOPrIFla+\-\(\)\\\\\/,pqbtmsih]{6,})$/i';
+                preg_match_all($re, $query, $imatches, PREG_SET_ORDER, 0);
+
+                if (count($imatches) > 0 && substr($query, 0, 6) == 'InChI=') {
+                    $queryType = 'inchi';
+                }
+
+                //inchikey
+                $re = '/^([0-9A-Z\-]+)$/i';
+                preg_match_all($re, $query, $ikmatches, PREG_SET_ORDER, 0);
+                if (
+                    count($ikmatches) > 0 &&
+                    substr($query, 14, 1) == '-' &&
+                    strlen($query) == 27
+                ) {
+                    $queryType = 'inchikey';
+                }
+
+                // smiles
+                $re = '/^([^J][0-9BCOHNSOPrIFla@+\-\[\]\(\)\\\\\/%=#$]{6,})$/i';
+                preg_match_all($re, $query, $matches, PREG_SET_ORDER, 0);
+
+                if (count($matches) > 0 && substr($query, 14, 1) != '-') {
+                    $queryType = 'smiles';
+                }
+            }
+
+            $filterMap = [
+                'mf' => 'molecular_formula',
+
+                'mw' => 'molecular_weight',
+                'hac' => 'heavy_atom_count',
+                'tac' => 'total_atom_count',
+
+                'arc' => 'aromatic_ring_count',
+                'rbc' => 'rotatable_bond_count',
+                'mrc' => 'minimal_number_of_rings',
+                'fc' => 'formal_charge',
+                'cs' => 'contains_sugar',
+                'crs' => 'contains_ring_sugars',
+                'cls' => 'contains_linear_sugars',
+
+                'npl' => 'np_likeness_score',
+                'alogp' => 'alogp',
+                'topopsa' => 'topo_psa',
+                'fsp3' => 'fsp3',
+                'hba' => 'h_bond_acceptor_count',
+                'hbd' => 'h_bond_donor_count',
+                'ro5v' => 'rule_of_5_violations',
+                'lhba' => 'lipinski_h_bond_acceptor_count',
+                'lhbd' => 'lipinski_h_bond_donor_count',
+                'lro5v' => 'lipinski_rule_of_5_violations',
+                'ds' => 'found_in_databases',
+
+                'class' => 'chemical_class',
+                'subclass' => 'chemical_sub_class',
+                'superclass' => 'chemical_super_class',
+                'parent' => 'direct_parent_classification',
+
+            ];
+
+            $queryType = strtolower($queryType);
+
+            $statement = null;
+
+            if ($queryType == 'smiles' || $queryType == 'substructure') {
+                $statement =
+                    "select id, COUNT(*) OVER () from mols where m@>'".
+                    $query.
+                    "' limit ".
+                    $limit.
+                    ' offset '.
+                    $offset;
+            } elseif ($queryType == 'inchi') {
+                $statement =
+                    "select id, COUNT(*) OVER () from molecules where standard_inchi LIKE '%".
+                    $query.
+                    "%' limit ".
+                    $limit.
+                    ' offset '.
+                    $offset;
+            } elseif ($queryType == 'inchikey') {
+                $statement =
+                    "select id, COUNT(*) OVER () from molecules where standard_inchi_key LIKE '%".
+                    $query.
+                    "%' limit ".
+                    $limit.
+                    ' offset '.
+                    $offset;
+            } elseif ($queryType == 'exact') {
+                $statement =
+                    "select id, COUNT(*) OVER () from mols where m@='".
+                    $query.
+                    "' limit ".
+                    $limit.
+                    ' offset '.
+                    $offset;
+            } elseif ($queryType == 'similarity') {
+                $statement =
+                    "select id, COUNT(*) OVER () from fps where mfp2%morganbv_fp('".
+                    $query.
+                    "') limit ".
+                    $limit.
+                    ' offset '.
+                    $offset;
+            } elseif ($queryType == 'tags') {
+                $results = Molecule::withAnyTags([$query], $tagType)->paginate($limit)->items();
+                $count = Molecule::withAnyTags([$query], $tagType)->count();
+            } elseif ($queryType == 'filters') {
+                $orConditions = explode('OR', $query);
+                $isORInitial = true;
+                $statement =
+                    'select molecule_id as id, COUNT(*) OVER () from properties where ';
+                foreach ($orConditions as $orCondition) {
+                    if ($isORInitial === false) {
+                        $statement = $statement.' OR ';
+                    }
+                    $isORInitial = false;
+                    $statement = $statement.'(';
+                    $andConditions = explode(' ', trim($orCondition, ' '));
+                    $isANDInitial = true;
+                    foreach ($andConditions as $andCondition) {
+                        if ($isANDInitial === false) {
+                            $statement = $statement.' AND ';
+                        }
+                        $isANDInitial = false;
+                        $_filter = explode(':', $andCondition);
+                        if (str_contains($_filter[1], '..')) {
+                            $range = array_values(explode('..', $_filter[1]));
+                            $statement =
+                                $statement.
+                                '('.
+                                $filterMap[$_filter[0]].
+                                ' between '.
+                                $range[0].
+                                ' and '.
+                                $range[1].
+                                ')';
+                        } elseif (
+                            $_filter[1] === 'true' ||
+                            $_filter[1] === 'false'
+                        ) {
+                            $statement =
+                                $statement.
+                                '('.
+                                $filterMap[$_filter[0]].
+                                ' = '.
+                                $_filter[1].
+                                ')';
+                        } elseif (str_contains($_filter[1], '|')) {
+                            $dbFilters = explode('|', $_filter[1]);
+                            $dbs = explode('+', $dbFilters[0]);
+                            $statement =
+                                $statement.
+                                '('.
+                                $filterMap[$_filter[0]].
+                                " @> '[\"".
+                                implode('","', $dbs).
+                                "\"]')";
+                        } else {
+                            if (str_contains($_filter[1], '+')) {
+                                $_filter[1] = str_replace('+', ' ', $_filter[1]);
+                            }
+                            $statement =
+                                $statement.
+                                '('.$filterMap[$_filter[0]].'::TEXT ILIKE \'%'.$_filter[1].'%\')';
+                        }
+                    }
+                    $statement = $statement.')';
+                }
+                $statement = $statement.' LIMIT '.$limit;
+                // dd($statement );
+            } else {
+                if ($query) {
+                    $query = str_replace("'", "''", $query);
+                    $statement =
+                        "select id, COUNT(*) OVER () from molecules WHERE (\"name\"::TEXT ILIKE '%".
+                        $query.
+                        "%') OR (\"synonyms\"::TEXT ILIKE '%".
+                        $query.
+                        "%') OR (\"identifier\"::TEXT ILIKE '%".
+                        $query.
+                        "%') limit ".
+                        $limit.
+                        ' offset '.
+                        $offset;
+                } else {
+                    $statement =
+                        'select id, COUNT(*) OVER () from mols limit '.
+                        $limit.
+                        ' offset '.
+                        $offset;
+                }
+            }
+            if ($statement) {
+                $expression = DB::raw($statement);
+                $qString = $expression->getValue(
+                    DB::connection()->getQueryGrammar()
+                );
+
+                $hits = DB::select($qString);
+
+                $count = count($hits) > 0 ? $hits[0]->count : 0;
+
+                $ids = implode(
+                    ',',
+                    collect($hits)
+                        ->pluck('id')
+                        ->toArray()
+                );
+
+                if ($ids != '') {
+                    $statement =
+                        'SELECT * FROM molecules WHERE ID IN ('.
+                        implode(
+                            ',',
+                            collect($hits)
+                                ->pluck('id')
+                                ->toArray()
+                        ).
+                        ')';
+                    if ($sort == 'recent') {
+                        $statement = $statement.' ORDER BY created_at DESC';
+                    }
+                    $expression = DB::raw($statement);
+                    $string = $expression->getValue(
+                        DB::connection()->getQueryGrammar()
+                    );
+                    $results = DB::select($string);
+                } else {
+                    $results = [];
+                    $count = 0;
+                }
+            }
+            $pagination = new LengthAwarePaginator(
+                $results,
+                $count,
+                $limit,
+                $page
+            );
+
+            //dd($pagination);
+            return $pagination;
+        } catch (QueryException $exception) {
+            return response()->json(
+                [
+                    'message' => $exception->getMessage(),
+                ],
+                500
+            );
+        }
+    }
+}
diff --git a/app/Http/Controllers/ApplicationController.php b/app/Http/Controllers/ApplicationController.php
index 18c994a6..53f76077 100644
--- a/app/Http/Controllers/ApplicationController.php
+++ b/app/Http/Controllers/ApplicationController.php
@@ -11,6 +11,22 @@
 
 class ApplicationController extends Controller
 {
+    /**
+     * Resolve the incoming compounds search request and renders compounds
+     * inertia view
+     *
+     * @return Inertia\Inertia
+     */
+    public function compounds(Request $request)
+    {
+        $query = $request->get('query');
+        $limit = $request->get('limit') ? $limit : 24;
+        $page = $request->query('page');
+        $tagType = $request->query('tagType') ? $request->query('tagType') : null;
+
+        return Inertia::render('Public/Compounds', compact(['query', 'limit', 'page', 'tagType']));
+    }
+
     /**
      * Resolve the incoming request into right models and render the
      * inertia view
diff --git a/app/Http/Controllers/StudyController.php b/app/Http/Controllers/StudyController.php
index 21c06f4c..9f3b7497 100644
--- a/app/Http/Controllers/StudyController.php
+++ b/app/Http/Controllers/StudyController.php
@@ -133,15 +133,15 @@ public function moleculeStore(Request $request, Study $study)
             $study->sample()->save($sample);
         }
         $inchi = $request->get('InChI');
-        $molecule = $sample->molecules->where('STANDARD_INCHI', $inchi)->first();
+        $molecule = $sample->molecules->where('standard_inchi', $inchi)->first();
         if (is_null($molecule)) {
             $molecule = Molecule::firstOrCreate([
-                'STANDARD_INCHI' => $inchi,
+                'standard_inchi' => $inchi,
             ], [
-                'FORMULA' => $request->get('formula') ? $request->get('formula') : '',
-                'INCHI_KEY' => $request->get('InChIKey') ? $request->get('InChIKey') : '',
-                'MOL' => $request->get('mol') ? $request->get('mol') : '',
-                'CANONICAL_SMILES' => $request->get('canonical_smiles') ? $request->get('canonical_smiles') : '',
+                'molecular_formula' => $request->get('formula') ? $request->get('formula') : '',
+                'inchi_key' => $request->get('InChIKey') ? $request->get('InChIKey') : '',
+                'sdf' => $request->get('mol') ? $request->get('mol') : '',
+                'canonical_smiles' => $request->get('canonical_smiles') ? $request->get('canonical_smiles') : '',
             ]);
             $sample->molecules()->syncWithPivotValues([$molecule->id], ['percentage_composition' => $request->get('percentage')], false);
         }
diff --git a/app/Jobs/ArchiveStudy.php b/app/Jobs/ArchiveStudy.php
index 5ba6748b..82b909f6 100644
--- a/app/Jobs/ArchiveStudy.php
+++ b/app/Jobs/ArchiveStudy.php
@@ -158,15 +158,15 @@ public function handle(): void
                         //         $standardizedMolecule = $this->standardizeMolecule($mol['molfile']);
                         //         // associate
                         //         $inchi = $standardizedMolecule['InChI'];
-                        //         $molecule = $sample->molecules->where('STANDARD_INCHI', $inchi)->first();
+                        //         $molecule = $sample->molecules->where('standard_inchi', $inchi)->first();
                         //         if (is_null($molecule)) {
                         //             $molecule = Molecule::firstOrCreate([
-                        //                 'STANDARD_INCHI' => $inchi,
+                        //                 'standard_inchi' => $inchi,
                         //             ], [
-                        //                 'FORMULA' => $standardizedMolecule['formula'] ? $standardizedMolecule['formula']  : '',
-                        //                 'INCHI_KEY' => $standardizedMolecule['InChIKey']  ? $standardizedMolecule['InChIKey']  : '',
-                        //                 'MOL' => $standardizedMolecule['mol']  ? $standardizedMolecule['mol']  : '',
-                        //                 'CANONICAL_SMILES' => $standardizedMolecule['canonical_smiles']  ? $standardizedMolecule['canonical_smiles']  : '',
+                        //                 'molecular_formula' => $standardizedMolecule['formula'] ? $standardizedMolecule['formula']  : '',
+                        //                 'inchi_key' => $standardizedMolecule['InChIKey']  ? $standardizedMolecule['InChIKey']  : '',
+                        //                 'sdf' => $standardizedMolecule['mol']  ? $standardizedMolecule['mol']  : '',
+                        //                 'canonical_smiles' => $standardizedMolecule['canonical_smiles']  ? $standardizedMolecule['canonical_smiles']  : '',
                         //             ]);
                         //             $sample->molecules()->syncWithPivotValues([$molecule->id], ['percentage_composition' => 0], false);
                         //         }
diff --git a/app/Models/Molecule.php b/app/Models/Molecule.php
index 99385695..b83927d5 100644
--- a/app/Models/Molecule.php
+++ b/app/Models/Molecule.php
@@ -11,16 +11,16 @@ class Molecule extends Model
     use HasFactory;
 
     protected $fillable = [
-        'CAS_NUMBER',
-        'FORMULA',
-        'MOLECULAR_WEIGHT',
-        'SMILES',
-        'SMILES_CHIRAL',
-        'CANONICAL_SMILES',
-        'INCHI',
-        'STANDARD_INCHI',
-        'INCHI_KEY',
-        'STANDARD_INCHI_KEY',
+        'cas',
+        'molecular_formula',
+        'molecular_weight',
+        'smiles',
+        'absolute_smiles',
+        'canonical_smiles',
+        'inchi',
+        'standard_inchi',
+        'inchi_key',
+        'standard_inchi_key',
         'fp0',
         'fp1',
         'fp2',
diff --git a/database/factories/MoleculeFactory.php b/database/factories/MoleculeFactory.php
index 368dc357..152aca2d 100644
--- a/database/factories/MoleculeFactory.php
+++ b/database/factories/MoleculeFactory.php
@@ -30,9 +30,9 @@ public function definition()
 
         $output = [];
         $labels = [
-            'InChI' => 'STANDARD_INCHI',
-            'InChIKey' => 'INCHI_KEY',
-            'Molecular Formula' => 'FORMULA',
+            'InChI' => 'standard_inchi',
+            'InChIKey' => 'inchi_key',
+            'Molecular Formula' => 'molecular_formula',
         ];
 
         foreach ($data as $key => $value) {
@@ -48,16 +48,16 @@ public function definition()
 
         return
         [
-            'CAS_NUMBER' => null,
-            'FORMULA' => $output['FORMULA'],
-            'MOLECULAR_WEIGHT' => null,
-            'SMILES' => null,
-            'SMILES_CHIRAL' => null,
-            'CANONICAL_SMILES' => null,
-            'INCHI' => null,
-            'STANDARD_INCHI' => $output['STANDARD_INCHI'],
-            'INCHI_KEY' => $output['INCHI_KEY'],
-            'STANDARD_INCHI_KEY' => null,
+            'cas' => null,
+            'molecular_formula' => $output['molecular_formula'],
+            'molecular_weight' => null,
+            'smiles' => null,
+            'absolute_smiles' => null,
+            'canonical_smiles' => null,
+            'inchi' => null,
+            'standard_inchi' => $output['standard_inchi'],
+            'inchi_key' => $output['inchi_key'],
+            'standard_inchi_key' => null,
             'fp0' => null,
             'fp1' => null,
             'fp2' => null,
@@ -78,7 +78,7 @@ public function definition()
             'SSSR' => null,
             'SAR' => null,
             'COMMENT' => null,
-            'MOL' => null, //todo: add mol file
+            'sdf' => null,
             'MULTIPLICITY_0' => null,
             'MULTIPLICITY_1' => null,
             'MULTIPLICITY_2' => null,
diff --git a/database/migrations/2023_11_15_214811_update_molecules_table.php b/database/migrations/2023_11_15_214811_update_molecules_table.php
new file mode 100644
index 00000000..fca91acb
--- /dev/null
+++ b/database/migrations/2023_11_15_214811_update_molecules_table.php
@@ -0,0 +1,150 @@
+<?php
+
+use Illuminate\Database\Migrations\Migration;
+use Illuminate\Database\Schema\Blueprint;
+use Illuminate\Support\Facades\Schema;
+
+return new class extends Migration
+{
+    /**
+     * Run the migrations.
+     */
+    public function up(): void
+    {
+        Schema::table('molecules', function (Blueprint $table) {
+            // $table->renameColumn('INCHI', 'inchi');
+            // $table->renameColumn('STANDARD_INCHI', 'standard_inchi');
+            // $table->renameColumn('INCHI_KEY', 'inchi_key');
+            // $table->renameColumn('STANDARD_INCHI_KEY', 'standard_inchi_key');
+
+            // $table->renameColumn('canonical_smiles', 'canonical_smiles');
+            // $table->renameColumn('smiles', 'smiles');
+            // $table->renameColumn('SMILES_CHIRAL', 'absolute_smiles');
+
+            // $table->renameColumn('CAS_NUMBER', 'cas');
+            // $table->renameColumn('MOLECULAR_WEIGHT', 'molecular_weight');
+            // $table->renameColumn('FORMULA', 'molecular_formula');
+            // $table->renameColumn('MOL', 'sdf');
+
+            $table->longText('name')->nullable();
+            $table->integer('name_trust_level')->default(0)->nullable();
+            $table->integer('annotation_level')->default(0)->nullable();
+
+            $table->longText('synonyms')->nullable();
+            $table->longText('iupac_name')->nullable();
+
+            $table->json('2d')->nullable();
+            $table->json('3d')->nullable();
+
+            $table->longText('structural_comments')->nullable();
+
+            $table->enum('status', ['APPROVED', 'REVOKED'])->default('APPROVED');
+
+            $table->boolean('active')->default(1);
+            $table->boolean('has_stereo')->default(0);
+
+            $table->boolean('has_variants')->default(0);
+            $table->integer('variants_count')->default(0);
+
+            $table->dropColumn('VIEWS');
+            $table->dropColumn('COMMENT');
+            $table->dropColumn('DBE');
+            $table->dropColumn('SSSR');
+            $table->dropColumn('SAR');
+
+            $table->dropColumn('MULTIPLICITY_0');
+            $table->dropColumn('MULTIPLICITY_1');
+            $table->dropColumn('MULTIPLICITY_2');
+            $table->dropColumn('MULTIPLICITY_3');
+
+            $table->dropColumn('fp0');
+            $table->dropColumn('fp1');
+            $table->dropColumn('fp2');
+            $table->dropColumn('fp3');
+            $table->dropColumn('fp4');
+            $table->dropColumn('fp5');
+            $table->dropColumn('fp6');
+            $table->dropColumn('fp7');
+            $table->dropColumn('fp8');
+            $table->dropColumn('fp9');
+            $table->dropColumn('fp10');
+            $table->dropColumn('fp11');
+            $table->dropColumn('fp12');
+            $table->dropColumn('fp13');
+            $table->dropColumn('fp14');
+            $table->dropColumn('fp15');
+
+        });
+    }
+
+    /**
+     * Reverse the migrations.
+     */
+    public function down(): void
+    {
+        Schema::table('molecules', function (Blueprint $table) {
+            $table->bigInteger('fp0')->nullable();
+            $table->bigInteger('fp1')->nullable();
+            $table->bigInteger('fp2')->nullable();
+            $table->bigInteger('fp3')->nullable();
+            $table->bigInteger('fp4')->nullable();
+            $table->bigInteger('fp5')->nullable();
+            $table->bigInteger('fp6')->nullable();
+            $table->bigInteger('fp7')->nullable();
+            $table->bigInteger('fp8')->nullable();
+            $table->bigInteger('fp9')->nullable();
+            $table->bigInteger('fp10')->nullable();
+            $table->bigInteger('fp11')->nullable();
+            $table->bigInteger('fp12')->nullable();
+            $table->bigInteger('fp13')->nullable();
+            $table->bigInteger('fp14')->nullable();
+            $table->bigInteger('fp15')->nullable();
+            $table->float('DBE')->nullable();
+            $table->integer('SSSR')->nullable();
+            $table->integer('SAR')->nullable();
+            $table->json('COMMENT')->nullable();
+            $table->longText('MOL')->nullable();
+            $table->integer('MULTIPLICITY_0')->nullable();
+            $table->integer('MULTIPLICITY_1')->nullable();
+            $table->integer('MULTIPLICITY_2')->nullable();
+            $table->integer('MULTIPLICITY_3')->nullable();
+            $table->integer('VIEWS')->nullable();
+
+            // $table->renameColumn('inchi', 'INCHI');
+            // $table->renameColumn('standard_inchi','STANDARD_INCHI');
+            // $table->renameColumn('inchi_key', 'INCHI_KEY');
+            // $table->renameColumn('standard_inchi_key', 'STANDARD_INCHI_KEY');
+
+            // $table->renameColumn('canonical_smiles','canonical_smiles');
+            // $table->renameColumn('smiles', 'SMILES');
+            // $table->renameColumn('absolute_smiles', 'SMILES_CHIRAL');
+
+            // $table->renameColumn('cas', 'CAS_NUMBER');
+            // $table->renameColumn('molecular_weight', 'MOLECULAR_WEIGHT');
+            // $table->renameColumn('molecular_formula', 'FORMULA');
+
+            // $table->renameColumn('comment', 'COMMENT');
+            // $table->renameColumn('sdf', 'MOL');
+
+            $table->dropColumn('name');
+            $table->dropColumn('name_trust_level');
+            $table->dropColumn('annotation_level');
+
+            $table->dropColumn('synonyms');
+            $table->dropColumn('iupac_name');
+
+            $table->dropColumn('2d');
+            $table->dropColumn('3d');
+
+            $table->dropColumn('structural_comments');
+
+            $table->dropColumn('status');
+
+            $table->dropColumn('active');
+            $table->dropColumn('has_stereo');
+
+            $table->dropColumn('has_variants');
+            $table->dropColumn('variants_count');
+        });
+    }
+};
diff --git a/database/scripts/initialise_molecules_index.sql b/database/scripts/initialise_molecules_index.sql
new file mode 100644
index 00000000..3bcacf26
--- /dev/null
+++ b/database/scripts/initialise_molecules_index.sql
@@ -0,0 +1,19 @@
+create extension if not exists rdkit;
+select * into mols from (select id,mol_from_smiles(canonical_smiles::cstring) m  from molecules) tmp where m is not null;
+create index molidx on mols using gist(m);
+alter table mols add primary key (id);
+
+-- select * from molecules where identifier = 'CNP0228556' limit 24 offset 0;
+-- SELECT * from properties where molecule_id = 139702;
+-- select id, COUNT(*) OVER () from molecules where name = 'Curcumin' limit 24;
+-- select count(*) from molecules where smiles@>'c1cccc2c1nncc2' ;
+-- select id, COUNT(*) OVER () from molecules where LOWER(synonyms) LIKE '%' || LOWER('Thein') || '%' limit 24 offset 0;
+-- select id, COUNT(*) OVER () from molecules where LOWER(name) LIKE LOWER('Caffeine') OR LOWER(synonyms) LIKE '%' || LOWER('Caffeine') || '%' ORDER BY CASE WHEN (name) LIKE LOWER('Caffeine') THEN 1 WHEN LOWER(synonyms) LIKE '%' || LOWER('Caffeine') || '%' THEN 2 END;
+
+select id, torsionbv_fp(m) as torsionbv,morganbv_fp(m) as mfp2, featmorganbv_fp(m) as ffp2 into fps from mols;
+create index fps_ttbv_idx on fps using gist(torsionbv);
+create index fps_mfp2_idx on fps using gist(mfp2);
+create index fps_ffp2_idx on fps using gist(ffp2);
+alter table fps add primary key (id);
+
+-- select identifier, standard_inchi, standard_inchi_key, properties.score from molecules RIGHT JOIN properties ON properties.molecule_id = molecules.id;
\ No newline at end of file
diff --git a/resources/js/App/MoleculeCard.vue b/resources/js/App/MoleculeCard.vue
new file mode 100644
index 00000000..01e706fe
--- /dev/null
+++ b/resources/js/App/MoleculeCard.vue
@@ -0,0 +1,153 @@
+<template>
+    <a>
+        <div>
+            <div class="rounded overflow-hidden">
+                <Depictor2D
+                    class="p-4 border-b"
+                    :molecule="molecule.canonical_smiles"
+                ></Depictor2D>
+                <div
+                    v-if="molecule.name && molecule.name != ''"
+                    class="py-4 px-4"
+                >
+                    <div class="flex items-center">
+                        <div class="mb-1 flex items-center">
+                            <svg
+                                :key="index"
+                                v-for="index in molecule.annotation_level"
+                                class="inline text-yellow-400 h-4 w-4 flex-shrink-0"
+                                x-state:on="Active"
+                                x-state:off="Inactive"
+                                x-state-description='Active: "text-yellow-400", Inactive: "text-gray-200"'
+                                x-description="Heroicon name: mini/star"
+                                xmlns="http://www.w3.org/2000/svg"
+                                viewBox="0 0 20 20"
+                                fill="currentColor"
+                                aria-hidden="true"
+                            >
+                                <path
+                                    fill-rule="evenodd"
+                                    d="M10.868 2.884c-.321-.772-1.415-.772-1.736 0l-1.83 4.401-4.753.381c-.833.067-1.171 1.107-.536 1.651l3.62 3.102-1.106 4.637c-.194.813.691 1.456 1.405 1.02L10 15.591l4.069 2.485c.713.436 1.598-.207 1.404-1.02l-1.106-4.637 3.62-3.102c.635-.544.297-1.584-.536-1.65l-4.752-.382-1.831-4.401z"
+                                    clip-rule="evenodd"
+                                ></path>
+                            </svg>
+                            <svg
+                                :key="index"
+                                v-for="index in 5 - molecule.annotation_level"
+                                class="inline text-gray-200 h-4 w-4 flex-shrink-0"
+                                x-state-description='undefined: "text-yellow-400", undefined: "text-gray-200"'
+                                x-description="Heroicon name: mini/star"
+                                xmlns="http://www.w3.org/2000/svg"
+                                viewBox="0 0 20 20"
+                                fill="currentColor"
+                                aria-hidden="true"
+                            >
+                                <path
+                                    fill-rule="evenodd"
+                                    d="M10.868 2.884c-.321-.772-1.415-.772-1.736 0l-1.83 4.401-4.753.381c-.833.067-1.171 1.107-.536 1.651l3.62 3.102-1.106 4.637c-.194.813.691 1.456 1.405 1.02L10 15.591l4.069 2.485c.713.436 1.598-.207 1.404-1.02l-1.106-4.637 3.62-3.102c.635-.544.297-1.584-.536-1.65l-4.752-.382-1.831-4.401z"
+                                    clip-rule="evenodd"
+                                ></path>
+                            </svg>
+                        </div>
+                    </div>
+                    <div class="font-bold text-md mb-2">
+                        <a class="font-semibold text-gray-600 hover:underline"
+                            >#NMRXIV:{{ molecule.identifier }}</a
+                        >
+                    </div>
+                    <div
+                        class="text-gray-700 text-base break-all text-sm xs:truncate"
+                    >
+                        {{ molecule.name }}
+                    </div>
+                </div>
+                <div v-else class="py-4 px-4">
+                    <div class="flex items-center">
+                        <div class="mb-1 flex items-center">
+                            <svg
+                                :key="index"
+                                v-for="index in molecule.annotation_level"
+                                class="inline text-yellow-400 h-4 w-4 flex-shrink-0"
+                                x-state:on="Active"
+                                x-state:off="Inactive"
+                                x-state-description='Active: "text-yellow-400", Inactive: "text-gray-200"'
+                                x-description="Heroicon name: mini/star"
+                                xmlns="http://www.w3.org/2000/svg"
+                                viewBox="0 0 20 20"
+                                fill="currentColor"
+                                aria-hidden="true"
+                            >
+                                <path
+                                    fill-rule="evenodd"
+                                    d="M10.868 2.884c-.321-.772-1.415-.772-1.736 0l-1.83 4.401-4.753.381c-.833.067-1.171 1.107-.536 1.651l3.62 3.102-1.106 4.637c-.194.813.691 1.456 1.405 1.02L10 15.591l4.069 2.485c.713.436 1.598-.207 1.404-1.02l-1.106-4.637 3.62-3.102c.635-.544.297-1.584-.536-1.65l-4.752-.382-1.831-4.401z"
+                                    clip-rule="evenodd"
+                                ></path>
+                            </svg>
+                            <svg
+                                :key="index"
+                                v-for="index in 5 - molecule.annotation_level"
+                                class="inline text-gray-200 h-4 w-4 flex-shrink-0"
+                                x-state-description='undefined: "text-yellow-400", undefined: "text-gray-200"'
+                                x-description="Heroicon name: mini/star"
+                                xmlns="http://www.w3.org/2000/svg"
+                                viewBox="0 0 20 20"
+                                fill="currentColor"
+                                aria-hidden="true"
+                            >
+                                <path
+                                    fill-rule="evenodd"
+                                    d="M10.868 2.884c-.321-.772-1.415-.772-1.736 0l-1.83 4.401-4.753.381c-.833.067-1.171 1.107-.536 1.651l3.62 3.102-1.106 4.637c-.194.813.691 1.456 1.405 1.02L10 15.591l4.069 2.485c.713.436 1.598-.207 1.404-1.02l-1.106-4.637 3.62-3.102c.635-.544.297-1.584-.536-1.65l-4.752-.382-1.831-4.401z"
+                                    clip-rule="evenodd"
+                                ></path>
+                            </svg>
+                        </div>
+                    </div>
+                    <div class="font-bold text-md mb-2">
+                        <a class="font-semibold text-gray-600 hover:underline"
+                            >#NMRXIV:{{ molecule.identifier }}</a
+                        >
+                    </div>
+                    <div
+                        class="text-gray-700 text-base break-all text-xs truncate"
+                    >
+                        <small>
+                            <label>SMILES</label><br />
+                            {{ molecule.canonical_smiles }}
+                        </small>
+                    </div>
+                </div>
+                <!-- <div class="px-6 pb-2">
+        <span
+          class="inline-block bg-gray-200 rounded-full px-3 py-1 text-sm font-semibold text-gray-700 mr-2 mb-2"
+          >#photography</span
+        >
+        <span
+          class="inline-block bg-gray-200 rounded-full px-3 py-1 text-sm font-semibold text-gray-700 mr-2 mb-2"
+          >#travel</span
+        >
+        <span
+          class="inline-block bg-gray-200 rounded-full px-3 py-1 text-sm font-semibold text-gray-700 mr-2 mb-2"
+          >#winter</span
+        >
+      </div> -->
+            </div>
+        </div>
+    </a>
+</template>
+<script>
+import Depictor2D from "@/Shared/Depictor2D.vue";
+export default {
+    components: {
+        Depictor2D,
+    },
+    props: ["molecule"],
+    computed: {},
+    data() {
+        return {
+            results: [],
+        };
+    },
+    mounted() {},
+    methods: {},
+};
+</script>
diff --git a/resources/js/App/StructureSearch.vue b/resources/js/App/StructureSearch.vue
new file mode 100644
index 00000000..f1387e4d
--- /dev/null
+++ b/resources/js/App/StructureSearch.vue
@@ -0,0 +1,225 @@
+<template>
+    <div>
+        <button
+            type="button"
+            class="px-4 shadow py-3 rounded-full bg-white p-1 text-gray-400 hover:bg-gray-100 hover:text-gray-500 focus:outline-none focus:ring-2 focus:ring-secondary-dark focus:ring-offset-2"
+            @click="openDialog(true)"
+        >
+            <svg
+                xmlns="http://www.w3.org/2000/svg"
+                fill="none"
+                viewBox="0 0 24 24"
+                stroke-width="1.5"
+                stroke="currentColor"
+                aria-hidden="true"
+                class="mr-3 ml-2 h-6 w-6"
+            >
+                <path
+                    stroke-linecap="round"
+                    stroke-linejoin="round"
+                    d="M9.75 3.104v5.714a2.25 2.25 0 01-.659 1.591L5 14.5M9.75 3.104c-.251.023-.501.05-.75.082m.75-.082a24.301 24.301 0 014.5 0m0 0v5.714c0 .597.237 1.17.659 1.591L19.8 15.3M14.25 3.104c.251.023.501.05.75.082M19.8 15.3l-1.57.393A9.065 9.065 0 0112 15a9.065 9.065 0 00-6.23-.693L5 14.5m14.8.8l1.402 1.402c1.232 1.232.65 3.318-1.067 3.611A48.309 48.309 0 0112 21c-2.773 0-5.491-.235-8.135-.687-1.718-.293-2.3-2.379-1.067-3.61L5 14.5"
+                ></path>
+            </svg>
+        </button>
+        <TransitionRoot
+            :show="open"
+            as="template"
+            @after-leave="query = ''"
+            appear
+        >
+            <Dialog as="div" class="relative z-10" @close="open = false">
+                <TransitionChild
+                    as="template"
+                    enter="ease-out duration-300"
+                    enter-from="opacity-0"
+                    enter-to="opacity-100"
+                    leave="ease-in duration-200"
+                    leave-from="opacity-100"
+                    leave-to="opacity-0"
+                >
+                    <div
+                        class="fixed inset-0 bg-gray-500 bg-opacity-25 transition-opacity"
+                    />
+                </TransitionChild>
+
+                <div
+                    class="fixed inset-0 z-10 overflow-y-auto p-4 sm:p-6 md:p-20"
+                >
+                    <TransitionChild
+                        as="template"
+                        enter="ease-out duration-300"
+                        enter-from="opacity-0 scale-95"
+                        enter-to="opacity-100 scale-100"
+                        leave="ease-in duration-200"
+                        leave-from="opacity-100 scale-100"
+                        leave-to="opacity-0 scale-95"
+                    >
+                        <DialogPanel
+                            class="mx-auto max-w-3xl transform divide-y divide-gray-100 overflow-hidden rounded-xl bg-white shadow-2xl ring-1 ring-black ring-opacity-5 transition-all"
+                        >
+                            <div
+                                class="border-b border-gray-200 bg-white px-4 py-5 sm:px-6"
+                            >
+                                <h3
+                                    class="text-lg font-medium leading-6 text-gray-900"
+                                >
+                                    Structure Search
+                                </h3>
+                                <!-- <p class="mt-1 text-sm text-gray-500">
+                  Lorem ipsum dolor sit amet consectetur adipisicing elit quam corrupti
+                  consectetur.
+                </p> -->
+                            </div>
+                            <div class="p-4">
+                                <div
+                                    id="structureSearchEditor"
+                                    class="w-full border rounded-md"
+                                    style="height: 400px"
+                                />
+                                <div class="mt-6">
+                                    <fieldset class="mt-6">
+                                        <legend
+                                            class="contents text-base font-medium text-gray-900"
+                                        >
+                                            Select search type
+                                        </legend>
+                                        <!-- <p class="text-sm text-gray-500">
+                      These are delivered via SMS to your mobile phone.
+                    </p> -->
+                                        <div class="mt-4 space-y-4">
+                                            <div class="flex items-center">
+                                                <label
+                                                    for="search-type-exact"
+                                                    class="block cursor-pointer text-sm font-medium text-gray-700"
+                                                >
+                                                    <input
+                                                        id="search-type-exact"
+                                                        name="search-type"
+                                                        v-model="type"
+                                                        value="exact"
+                                                        type="radio"
+                                                        class="mr-3 h-4 w-4 border-gray-300 text-secondary-dark focus:ring-secondary-dark"
+                                                    />
+                                                    Exact match</label
+                                                >
+                                            </div>
+                                            <div class="flex items-center">
+                                                <label
+                                                    for="search-type-sub"
+                                                    class="block cursor-pointer text-sm font-medium text-gray-700"
+                                                    ><input
+                                                        id="search-type-sub"
+                                                        name="search-type"
+                                                        v-model="type"
+                                                        type="radio"
+                                                        value="substructure"
+                                                        class="mr-3 h-4 w-4 border-gray-300 text-secondary-dark focus:ring-secondary-dark"
+                                                    />Substructure Search</label
+                                                >
+                                            </div>
+                                            <div class="flex items-center">
+                                                <label
+                                                    for="search-type-similar"
+                                                    class="block cursor-pointer text-sm font-medium text-gray-700"
+                                                    ><input
+                                                        id="search-type-similar"
+                                                        v-model="type"
+                                                        name="search-type"
+                                                        value="similarity"
+                                                        type="radio"
+                                                        class="mr-3 h-4 w-4 border-gray-300 text-secondary-dark focus:ring-secondary-dark"
+                                                    />Similarity Search
+                                                    (tanimoto_threshold=0.5)</label
+                                                >
+                                            </div>
+                                        </div>
+                                    </fieldset>
+                                </div>
+                            </div>
+                            <div class="p-4">
+                                <div class="flex justify-end">
+                                    <button
+                                        @click="openDialog(false)"
+                                        type="button"
+                                        class="rounded-md border border-gray-300 bg-white py-2 px-4 text-sm font-medium text-gray-700 shadow-sm hover:bg-gray-50 focus:outline-none focus:ring-2 focus:ring-secondary-dark focus:ring-offset-2"
+                                    >
+                                        Cancel
+                                    </button>
+                                    <button
+                                        class="ml-3 inline-flex justify-center rounded-md border border-transparent bg-secondary-dark py-2 px-4 text-sm font-medium text-white shadow-sm hover:bg-secondary-light focus:outline-none focus:ring-2 focus:ring-secondary-dark focus:ring-offset-2"
+                                        @click="search"
+                                    >
+                                        Search
+                                    </button>
+                                </div>
+                            </div>
+                        </DialogPanel>
+                    </TransitionChild>
+                </div>
+            </Dialog>
+        </TransitionRoot>
+    </div>
+</template>
+
+<script>
+import { ref } from "vue";
+import OCL from "openchemlib/full";
+import {
+    Combobox,
+    ComboboxInput,
+    ComboboxOptions,
+    ComboboxOption,
+    Dialog,
+    DialogPanel,
+    TransitionChild,
+    TransitionRoot,
+} from "@headlessui/vue";
+
+export default {
+    components: {
+        Combobox,
+        ComboboxInput,
+        ComboboxOptions,
+        ComboboxOption,
+        Dialog,
+        DialogPanel,
+        TransitionChild,
+        TransitionRoot,
+    },
+    props: [],
+    computed: {},
+    data() {
+        return {
+            editor: "",
+            open: ref(false),
+            query: ref(""),
+            smiles: null,
+            type: "exact",
+        };
+    },
+    mounted() {},
+    methods: {
+        openDialog(value) {
+            this.open = value;
+            if (value) {
+                this.$nextTick(() => {
+                    this.editor = OCL.StructureEditor.createSVGEditor(
+                        "structureSearchEditor",
+                        1
+                    );
+                });
+            }
+        },
+        search() {
+            this.$page.props.query = this.editor.getSmiles();
+            this.$page.props.queryType = this.type;
+
+            window.location =
+                "/compounds/?query=" +
+                encodeURI(this.editor.getSmiles()) +
+                "&type=" +
+                this.type;
+        },
+    },
+};
+</script>
diff --git a/resources/js/Layouts/AppLayout.vue b/resources/js/Layouts/AppLayout.vue
index b33879ef..62172023 100644
--- a/resources/js/Layouts/AppLayout.vue
+++ b/resources/js/Layouts/AppLayout.vue
@@ -742,6 +742,7 @@ import {
     StarIcon,
     FolderIcon,
     Squares2X2Icon,
+    SwatchIcon,
     TrashIcon,
 } from "@heroicons/vue/24/outline";
 import { MagnifyingGlassIcon, PlusIcon } from "@heroicons/vue/24/solid";
@@ -768,6 +769,13 @@ const navigation = [
         icon: Squares2X2Icon,
         bg: "bg-white",
     },
+    {
+        auth: false,
+        name: "Compounds",
+        href: "/compounds",
+        icon: SwatchIcon,
+        bg: "bg-white",
+    },
     // {
     //     auth: false,
     //     name: "Spectra",
@@ -858,6 +866,7 @@ export default {
         StudyCreate,
         Submission,
         Notification,
+        SwatchIcon,
     },
     props: {
         title: String,
diff --git a/resources/js/Mixins/Global.js b/resources/js/Mixins/Global.js
index 09a896dc..51fa0b6e 100644
--- a/resources/js/Mixins/Global.js
+++ b/resources/js/Mixins/Global.js
@@ -1,9 +1,228 @@
 import * as marked from "marked";
 import { copyText } from "vue3-clipboard";
 import pluralize from "pluralize";
+import OCL from "openchemlib/full";
 
 export default {
     methods: {
+        tagQuery(query) {
+            if (query) {
+                if (this.isInchi(query)) {
+                    return "InChi";
+                } else if (this.isInChiKey(query)) {
+                    return "InChiKey";
+                } else {
+                    try {
+                        let molecule = OCL.Molecule.fromSmiles(query);
+                    } catch (err) {
+                        return "text";
+                    }
+                    return "smiles";
+                }
+            }
+        },
+        removeDuplicates(a) {
+            return a.filter(function (value, index) {
+                return a.indexOf(value) == index;
+            });
+        },
+        isInchi(query) {
+            return (
+                !!query
+                    .trim()
+                    .match(
+                        /^((InChI=)?[^J][0-9BCOHNSOPrIFla+\-\(\)\\\/,pqbtmsih]{6,})$/gi
+                    ) && query.startsWith("InChI=")
+            );
+        },
+        isInChiKey(query) {
+            return (
+                (25 === query.length &&
+                    "-" === query[14] &&
+                    !!query.match(/^([0-9A-Z\-]+)$/)) ||
+                (27 === query.length &&
+                    "-" === query[14] &&
+                    "-" === query[25] &&
+                    !!query.match(/^([0-9A-Z\-]+)$/))
+            );
+        },
+        hasAnyRole: function (roles) {
+            return this.checkIfValueExists(roles, "roles");
+        },
+        hasAnyPermission: function (permissions) {
+            return this.checkIfValueExists(permissions, "permissions");
+        },
+        checkIfValueExists(queryArray, type) {
+            if (this.$page.props.user && this.$page.props.user[type]) {
+                let allValues = Array.from(this.$page.props.user[type]);
+                return queryArray.some((r) => allValues.indexOf(r) >= 0);
+            }
+        },
+        formatDate(timestamp) {
+            const date = new Date(timestamp);
+            return new Intl.DateTimeFormat("default", {
+                dateStyle: "long",
+            }).format(date);
+        },
+        formatDateTime(timestamp) {
+            const date = new Date(timestamp);
+            return new Intl.DateTimeFormat("en", {
+                dateStyle: "full",
+                timeStyle: "short",
+            }).format(date);
+        },
+        md(data) {
+            return data ? marked.parse(data) : "";
+        },
+        getHash(input) {
+            var hash = 0,
+                len = input.length;
+            for (var i = 0; i < len; i++) {
+                hash = (hash << 5) - hash + input.charCodeAt(i);
+                hash |= 0; // to 32bit integer
+            }
+            return hash;
+        },
+        findLocalItems(query) {
+            var i,
+                results = [];
+            if (typeof window !== "undefined") {
+                for (i in localStorage) {
+                    if (localStorage.hasOwnProperty(i)) {
+                        if (
+                            i.match(query) ||
+                            (!query && typeof i === "string")
+                        ) {
+                            let value = JSON.parse(localStorage.getItem(i));
+                            if (value) {
+                                results.push({ key: i, val: value });
+                            }
+                        }
+                    }
+                }
+            }
+            return results;
+        },
+        slugify(str) {
+            str = str.replace(/^\s+|\s+$/g, "");
+            str = str.toLowerCase();
+            var from = "àáäâèéëêìíïîòóöôùúüûñç·/_,:;";
+            var to = "aaaaeeeeiiiioooouuuunc------";
+            for (var i = 0, l = from.length; i < l; i++) {
+                str = str.replace(
+                    new RegExp(from.charAt(i), "g"),
+                    to.charAt(i)
+                );
+            }
+            str = str
+                .replace(/[^a-z0-9 -]/g, "")
+                .replace(/\s+/g, "-")
+                .replace(/-+/g, "-");
+
+            return str;
+        },
+        copyToClipboard(text) {
+            copyText(text, undefined, (error) => {
+                if (error) {
+                    console.log(error);
+                } else {
+                    console.log("copied");
+                    // console.log(event)
+                }
+            });
+        },
+        bytesToSize(bytes) {
+            var sizes = ["Bytes", "KB", "MB", "GB", "TB"];
+            if (bytes == 0) return "0 Byte";
+            var i = parseInt(Math.floor(Math.log(bytes) / Math.log(1024)));
+            return Math.round(bytes / Math.pow(1024, i), 2) + " " + sizes[i];
+        },
+        isString(val) {
+            return typeof val === "string" || val instanceof String;
+        },
+        parseJSON(val) {
+            if (!val) {
+                return null;
+            }
+            if (this.isString(val)) {
+                return JSON.parse(val);
+            }
+            return val;
+        },
+        downloadMolFile2D(e, smiles, identifier, CM_API) {
+            axios
+                .get(
+                    CM_API +
+                        "convert/mol2D?smiles=" +
+                        encodeURIComponent(smiles) +
+                        "&generator=rdkit"
+                )
+                .then((response) => {
+                    this.saveTextAsFile(
+                        response.data,
+                        "Molfile_V2_" + identifier + ".mol",
+                        "chemical/x-mdl-molfile"
+                    );
+                })
+                .catch((error) => {
+                    console.error("Error downloading the file:", error);
+                });
+        },
+        downloadMolFile3D(e, smiles, identifier, CM_API) {
+            axios
+                .get(
+                    CM_API +
+                        "convert/mol3D?smiles=" +
+                        encodeURIComponent(smiles) +
+                        "&generator=rdkit"
+                )
+                .then((response) => {
+                    this.saveTextAsFile(
+                        response.data,
+                        "Molfile_V3_" + identifier + ".mol",
+                        "chemical/x-mdl-molfile"
+                    );
+                })
+                .catch((error) => {
+                    console.error("Error downloading the file:", error);
+                });
+        },
+        getMolfileStringBySmiles(smiles) {
+            try {
+                const npMolecule = OCL.Molecule.fromSmiles(smiles);
+                return npMolecule.toMolfileV3();
+            } catch (e) {
+                console.log(e.name + " in OpenChemLib: " + e.message);
+            }
+        },
+        saveTextAsFile(textToWrite, fileNameToSaveAs, fileType) {
+            let textFileAsBlob = new Blob([textToWrite], { type: fileType });
+            let downloadLink = document.createElement("a");
+            downloadLink.download = fileNameToSaveAs;
+            downloadLink.innerHTML = "Download File";
+
+            if (window.webkitURL != null) {
+                downloadLink.href =
+                    window.webkitURL.createObjectURL(textFileAsBlob);
+            } else {
+                downloadLink.href = window.URL.createObjectURL(textFileAsBlob);
+                downloadLink.style.display = "none";
+                document.body.appendChild(downloadLink);
+            }
+
+            downloadLink.click();
+        },
+        /*Extract Doi from URL*/
+        extractDoi(query) {
+            if (query.indexOf("http") > -1) {
+                var url = new URL(query);
+                query = url.pathname.replace("/", "");
+            }
+            return query.trim();
+        },
+        fixedDecimelPoint(input, decimelPoint) {
+            return Number.parseFloat(input).toFixed(decimelPoint);
+        },
         hasAnyRole: function (roles) {
             return this.checkIfValueExists(roles, "roles");
         },
diff --git a/resources/js/Pages/Public/Compounds.vue b/resources/js/Pages/Public/Compounds.vue
new file mode 100644
index 00000000..f37405f6
--- /dev/null
+++ b/resources/js/Pages/Public/Compounds.vue
@@ -0,0 +1,878 @@
+<template>
+    <app-layout title="Compounds">
+        <div>
+            <div class="mx-auto">
+                <div class="space-y-6 sm:px-6 lg:col-span-9 lg:px-0">
+                    <section class="mb-20 bg-white shadow sm:overflow-hidden">
+                        <div>
+                            <div class="relative border-b border-zinc-900/5">
+                                <div
+                                    class="relative pt-10 dark:border-white/5 mx-8 max-w-7xl py-12 sm:py-12"
+                                >
+                                    <div
+                                        class="absolute inset-0 bg-gradient-to-r from-[#36b49f] to-[#DBFF75] opacity-40 [mask-image:radial-gradient(farthest-side_at_top,white,transparent)] dark:from-[#36b49f]/30 dark:to-[#DBFF75]/30 dark:opacity-100"
+                                    >
+                                        <svg
+                                            aria-hidden="true"
+                                            class="absolute inset-x-0 inset-y-[-50%] h-[200%] w-full skew-y-[-18deg] fill-black/40 stroke-black/50 mix-blend-overlay dark:fill-white/2.5 dark:stroke-white/5"
+                                        >
+                                            <defs>
+                                                <pattern
+                                                    id=":r99:"
+                                                    width="72"
+                                                    height="56"
+                                                    patternUnits="userSpaceOnUse"
+                                                    x="-12"
+                                                    y="4"
+                                                >
+                                                    <path
+                                                        d="M.5 56V.5H72"
+                                                        fill="none"
+                                                    ></path>
+                                                </pattern>
+                                            </defs>
+                                            <rect
+                                                width="100%"
+                                                height="100%"
+                                                stroke-width="0"
+                                                fill="url(#:r99:)"
+                                            ></rect>
+                                            <svg
+                                                x="-12"
+                                                y="4"
+                                                class="overflow-visible"
+                                            >
+                                                <rect
+                                                    stroke-width="0"
+                                                    width="73"
+                                                    height="57"
+                                                    x="288"
+                                                    y="168"
+                                                ></rect>
+                                                <rect
+                                                    stroke-width="0"
+                                                    width="73"
+                                                    height="57"
+                                                    x="144"
+                                                    y="56"
+                                                ></rect>
+                                                <rect
+                                                    stroke-width="0"
+                                                    width="73"
+                                                    height="57"
+                                                    x="504"
+                                                    y="168"
+                                                ></rect>
+                                                <rect
+                                                    stroke-width="0"
+                                                    width="73"
+                                                    height="57"
+                                                    x="720"
+                                                    y="336"
+                                                ></rect>
+                                            </svg>
+                                        </svg>
+                                    </div>
+                                    <div
+                                        class="text-4xl mb-3 font-bold tracking-tight text-gray-900"
+                                    >
+                                        Browse Compounds
+                                    </div>
+                                    <p>
+                                        Search spectra by compound names,
+                                        structure, sub-structures and
+                                        smiliarity.
+                                    </p>
+                                </div>
+                            </div>
+                            <div>
+                                <div class="bg-white">
+                                    <section aria-labelledby="filter-heading">
+                                        <div
+                                            class="bg-gray-100 border-t border-b"
+                                        >
+                                            <div
+                                                class="mx-auto py-3 px-4 sm:px-6 lg:px-8"
+                                            >
+                                                <div class="flex items-center">
+                                                    <div
+                                                        class="flex w-full bg-white shadow rounded-full"
+                                                    >
+                                                        <form
+                                                            class="flex w-full md:ml-0"
+                                                            action="#"
+                                                            method="GET"
+                                                        >
+                                                            <label
+                                                                for="mobile-search-field"
+                                                                class="sr-only"
+                                                                >Search</label
+                                                            >
+                                                            <label
+                                                                for="desktop-search-field"
+                                                                class="sr-only"
+                                                                >Search</label
+                                                            >
+                                                            <div
+                                                                class="relative w-full text-gray-400 focus-within:text-gray-600"
+                                                            >
+                                                                <div
+                                                                    class="pointer-events-none absolute inset-y-0 left-0 flex items-center"
+                                                                >
+                                                                    <svg
+                                                                        class="h-5 w-5 flex-shrink-0"
+                                                                        x-description="Heroicon name: mini/magnifying-glass"
+                                                                        xmlns="http://www.w3.org/2000/svg"
+                                                                        viewBox="0 0 20 20"
+                                                                        fill="currentColor"
+                                                                        aria-hidden="true"
+                                                                    >
+                                                                        <path
+                                                                            fill-rule="evenodd"
+                                                                            d="M9 3.5a5.5 5.5 0 100 11 5.5 5.5 0 000-11zM2 9a7 7 0 1112.452 4.391l3.328 3.329a.75.75 0 11-1.06 1.06l-3.329-3.328A7 7 0 012 9z"
+                                                                            clip-rule="evenodd"
+                                                                        ></path>
+                                                                    </svg>
+                                                                </div>
+                                                                <input
+                                                                    name="mobile-search-field"
+                                                                    id="mobile-search-field"
+                                                                    class="h-full w-full border-transparent py-2 pl-8 pr-3 text-base text-gray-900 placeholder-gray-500 focus:border-transparent focus:placeholder-gray-400 focus:outline-none focus:ring-0 sm:hidden"
+                                                                    placeholder="Search"
+                                                                    type="search"
+                                                                    autofocus
+                                                                />
+                                                                <input
+                                                                    name="desktop-search-field"
+                                                                    id="desktop-search-field"
+                                                                    class="relative w-full border-0 px-6 py-3 rounded-full focus:shadow-outline hidden h-full w-full border-transparent text-gray-900 placeholder-gray-500 focus:border-transparent focus:placeholder-gray-400 focus:outline-none focus:ring-0 sm:block"
+                                                                    placeholder="Search by Compound name, SMILES, InChI, InChI Key"
+                                                                    type="search"
+                                                                    v-model="
+                                                                        searchTerm
+                                                                    "
+                                                                    autofocus
+                                                                    @change="
+                                                                        search()
+                                                                    "
+                                                                    @search="
+                                                                        search(
+                                                                            ''
+                                                                        )
+                                                                    "
+                                                                />
+                                                            </div>
+                                                        </form>
+                                                    </div>
+
+                                                    <div
+                                                        class="flex items-center md:ml-6"
+                                                    >
+                                                        <StructureSearch
+                                                            ref="structure-search"
+                                                        ></StructureSearch>
+                                                    </div>
+                                                </div>
+                                            </div>
+                                        </div>
+                                    </section>
+                                </div>
+                            </div>
+                        </div>
+                        <div v-if="recentQueries && recentQueries.length > 0">
+                            <div class="bg-gray-100">
+                                <div
+                                    class="mx-auto border-y max-w-7xl py-3 px-4 sm:flex sm:items-center sm:px-6 lg:px-16"
+                                >
+                                    <h3
+                                        class="text-sm font-medium text-gray-500"
+                                    >
+                                        Filters
+                                    </h3>
+
+                                    <div
+                                        aria-hidden="true"
+                                        class="hidden h-5 w-px bg-gray-300 sm:ml-4 sm:block"
+                                    ></div>
+                                    <div class="mt-2 sm:mt-0 sm:ml-4">
+                                        <div
+                                            class="-m-1 flex flex-wrap items-center"
+                                        >
+                                            <span
+                                                v-if="type"
+                                                class="m-1 inline-flex items-center rounded-full border border-gray-200 bg-white py-1.5 pl-3 pr-2 text-sm font-medium text-gray-900"
+                                            >
+                                                <a class="mr-1">{{ type }}</a>
+                                            </span>
+                                            <span
+                                                v-if="limit"
+                                                class="m-1 inline-flex items-center rounded-full border border-gray-200 bg-white py-1.5 pl-3 pr-2 text-sm font-medium text-gray-900"
+                                            >
+                                                <a class="cursor-pointer"
+                                                    >LIMIT: {{ limit }}</a
+                                                >
+                                            </span>
+                                        </div>
+                                    </div>
+                                </div>
+                            </div>
+                        </div>
+                        <div v-if="results">
+                            <div
+                                class="py-6 px-4 lg:px-12 sm:p-6 border-b border-gray-200"
+                            >
+                                <div
+                                    v-if="results.data.length > 0"
+                                    class="hidden sm:flex sm:flex-1 sm:items-center sm:justify-between"
+                                >
+                                    <div>
+                                        <p class="text-sm text-gray-700">
+                                            Showing
+                                            <span class="font-medium">{{
+                                                results.from
+                                            }}</span>
+                                            to
+                                            <span class="font-medium">{{
+                                                results.to
+                                            }}</span>
+                                            of
+                                            <span class="font-medium">{{
+                                                results.total
+                                            }}</span>
+                                            results
+                                        </p>
+                                    </div>
+                                    <div>
+                                        <nav
+                                            class="isolate inline-flex -space-x-px shadow-sm"
+                                            aria-label="Pagination"
+                                        >
+                                            <a
+                                                @click="navigateTo(link)"
+                                                v-for="link in results.links"
+                                                :key="link.label"
+                                                :class="[
+                                                    link.active
+                                                        ? 'bg-gray-200'
+                                                        : '',
+                                                    'first:rounded-l-lg last:rounded-r-lg relative cursor-pointer inline-flex items-center border border-gray-300 bg-white px-2 py-2 text-sm font-medium text-gray-500 hover:bg-gray-50 focus:z-20',
+                                                ]"
+                                                v-html="link.label"
+                                            >
+                                            </a>
+                                        </nav>
+                                    </div>
+                                </div>
+                                <div
+                                    v-if="results.data.length > 0"
+                                    class="mx-auto grid mt-6 gap-5 lg:max-w-none md:grid-cols-3 lg:grid-cols-4"
+                                >
+                                    <span
+                                        class="rounded-lg hover:shadow-lg shadow border"
+                                        v-for="result in results.data"
+                                        :key="result.id"
+                                    >
+                                        <MoleculeCard
+                                            :molecule="result"
+                                        ></MoleculeCard>
+                                    </span>
+                                </div>
+                                <div v-else>
+                                    <div v-if="error">
+                                        <div class="bg-white">
+                                            <div
+                                                class="mx-auto w-full max-w-7xl px-6 pb-16 sm:pb-24 lg:px-8"
+                                            >
+                                                <div
+                                                    class="mx-auto mt-20 max-w-2xl text-center sm:mt-24"
+                                                >
+                                                    <p
+                                                        class="text-base font-semibold leading-8 text-indigo-600"
+                                                    >
+                                                        {{ error.status }}
+                                                    </p>
+                                                    <h1
+                                                        class="mt-4 text-3xl font-bold tracking-tight text-gray-900 sm:text-5xl"
+                                                    >
+                                                        {{ error.statusText }}
+                                                    </h1>
+                                                    <p
+                                                        class="mt-4 text-base leading-7 text-gray-600 sm:mt-6 sm:text-lg sm:leading-8"
+                                                    >
+                                                        {{ error.data.message }}
+                                                    </p>
+                                                </div>
+                                                <div
+                                                    class="mx-auto mt-16 flow-root max-w-lg sm:mt-20"
+                                                >
+                                                    <!-- 
+                <h2 class="sr-only">Popular pages</h2>
+                <ul
+                  role="list"
+                  class="-mt-6 divide-y divide-gray-900/5 border-b border-gray-900/5"
+                >
+                  <li class="relative flex gap-x-6 py-6">
+                    <div
+                      class="flex h-10 w-10 flex-none items-center justify-center rounded-lg shadow-sm ring-1 ring-gray-900/10"
+                    >
+                      <svg
+                        class="h-6 w-6 text-indigo-600"
+                        viewBox="0 0 24 24"
+                        fill="currentColor"
+                        aria-hidden="true"
+                      >
+                        <path
+                          d="M11.25 4.533A9.707 9.707 0 006 3a9.735 9.735 0 00-3.25.555.75.75 0 00-.5.707v14.25a.75.75 0 001 .707A8.237 8.237 0 016 18.75c1.995 0 3.823.707 5.25 1.886V4.533zM12.75 20.636A8.214 8.214 0 0118 18.75c.966 0 1.89.166 2.75.47a.75.75 0 001-.708V4.262a.75.75 0 00-.5-.707A9.735 9.735 0 0018 3a9.707 9.707 0 00-5.25 1.533v16.103z"
+                        />
+                      </svg>
+                    </div>
+                    <div class="flex-auto">
+                      <h3 class="text-sm font-semibold leading-6 text-gray-900">
+                        <a href="#">
+                          <span class="absolute inset-0" aria-hidden="true"></span>
+                          Documentation
+                        </a>
+                      </h3>
+                      <p class="mt-2 text-sm leading-6 text-gray-600">
+                        Learn how to integrate our tools with your app.
+                      </p>
+                    </div>
+                    <div class="flex-none self-center">
+                      <svg
+                        class="h-5 w-5 text-gray-400"
+                        viewBox="0 0 20 20"
+                        fill="currentColor"
+                        aria-hidden="true"
+                      >
+                        <path
+                          fill-rule="evenodd"
+                          d="M7.21 14.77a.75.75 0 01.02-1.06L11.168 10 7.23 6.29a.75.75 0 111.04-1.08l4.5 4.25a.75.75 0 010 1.08l-4.5 4.25a.75.75 0 01-1.06-.02z"
+                          clip-rule="evenodd"
+                        />
+                      </svg>
+                    </div>
+                  </li>
+                  <li class="relative flex gap-x-6 py-6">
+                    <div
+                      class="flex h-10 w-10 flex-none items-center justify-center rounded-lg shadow-sm ring-1 ring-gray-900/10"
+                    >
+                      <svg
+                        class="h-6 w-6 text-indigo-600"
+                        viewBox="0 0 24 24"
+                        fill="currentColor"
+                        aria-hidden="true"
+                      >
+                        <path
+                          d="M5.625 3.75a2.625 2.625 0 100 5.25h12.75a2.625 2.625 0 000-5.25H5.625zM3.75 11.25a.75.75 0 000 1.5h16.5a.75.75 0 000-1.5H3.75zM3 15.75a.75.75 0 01.75-.75h16.5a.75.75 0 010 1.5H3.75a.75.75 0 01-.75-.75zM3.75 18.75a.75.75 0 000 1.5h16.5a.75.75 0 000-1.5H3.75z"
+                        />
+                      </svg>
+                    </div>
+                    <div class="flex-auto">
+                      <h3 class="text-sm font-semibold leading-6 text-gray-900">
+                        <a href="#">
+                          <span class="absolute inset-0" aria-hidden="true"></span>
+                          API Reference
+                        </a>
+                      </h3>
+                      <p class="mt-2 text-sm leading-6 text-gray-600">
+                        A complete API reference for our libraries.
+                      </p>
+                    </div>
+                    <div class="flex-none self-center">
+                      <svg
+                        class="h-5 w-5 text-gray-400"
+                        viewBox="0 0 20 20"
+                        fill="currentColor"
+                        aria-hidden="true"
+                      >
+                        <path
+                          fill-rule="evenodd"
+                          d="M7.21 14.77a.75.75 0 01.02-1.06L11.168 10 7.23 6.29a.75.75 0 111.04-1.08l4.5 4.25a.75.75 0 010 1.08l-4.5 4.25a.75.75 0 01-1.06-.02z"
+                          clip-rule="evenodd"
+                        />
+                      </svg>
+                    </div>
+                  </li>
+                  <li class="relative flex gap-x-6 py-6">
+                    <div
+                      class="flex h-10 w-10 flex-none items-center justify-center rounded-lg shadow-sm ring-1 ring-gray-900/10"
+                    >
+                      <svg
+                        class="h-6 w-6 text-indigo-600"
+                        viewBox="0 0 24 24"
+                        fill="currentColor"
+                        aria-hidden="true"
+                      >
+                        <path
+                          fill-rule="evenodd"
+                          d="M6 3a3 3 0 00-3 3v12a3 3 0 003 3h12a3 3 0 003-3V6a3 3 0 00-3-3H6zm1.5 1.5a.75.75 0 00-.75.75V16.5a.75.75 0 001.085.67L12 15.089l4.165 2.083a.75.75 0 001.085-.671V5.25a.75.75 0 00-.75-.75h-9z"
+                          clip-rule="evenodd"
+                        />
+                      </svg>
+                    </div>
+                    <div class="flex-auto">
+                      <h3 class="text-sm font-semibold leading-6 text-gray-900">
+                        <a href="#">
+                          <span class="absolute inset-0" aria-hidden="true"></span>
+                          Guides
+                        </a>
+                      </h3>
+                      <p class="mt-2 text-sm leading-6 text-gray-600">
+                        Installation guides that cover popular setups.
+                      </p>
+                    </div>
+                    <div class="flex-none self-center">
+                      <svg
+                        class="h-5 w-5 text-gray-400"
+                        viewBox="0 0 20 20"
+                        fill="currentColor"
+                        aria-hidden="true"
+                      >
+                        <path
+                          fill-rule="evenodd"
+                          d="M7.21 14.77a.75.75 0 01.02-1.06L11.168 10 7.23 6.29a.75.75 0 111.04-1.08l4.5 4.25a.75.75 0 010 1.08l-4.5 4.25a.75.75 0 01-1.06-.02z"
+                          clip-rule="evenodd"
+                        />
+                      </svg>
+                    </div>
+                  </li>
+                  <li class="relative flex gap-x-6 py-6">
+                    <div
+                      class="flex h-10 w-10 flex-none items-center justify-center rounded-lg shadow-sm ring-1 ring-gray-900/10"
+                    >
+                      <svg
+                        class="h-6 w-6 text-indigo-600"
+                        viewBox="0 0 24 24"
+                        fill="currentColor"
+                        aria-hidden="true"
+                      >
+                        <path
+                          fill-rule="evenodd"
+                          d="M3.75 4.5a.75.75 0 01.75-.75h.75c8.284 0 15 6.716 15 15v.75a.75.75 0 01-.75.75h-.75a.75.75 0 01-.75-.75v-.75C18 11.708 12.292 6 5.25 6H4.5a.75.75 0 01-.75-.75V4.5zm0 6.75a.75.75 0 01.75-.75h.75a8.25 8.25 0 018.25 8.25v.75a.75.75 0 01-.75.75H12a.75.75 0 01-.75-.75v-.75a6 6 0 00-6-6H4.5a.75.75 0 01-.75-.75v-.75zm0 7.5a1.5 1.5 0 113 0 1.5 1.5 0 01-3 0z"
+                          clip-rule="evenodd"
+                        />
+                      </svg>
+                    </div>
+                    <div class="flex-auto">
+                      <h3 class="text-sm font-semibold leading-6 text-gray-900">
+                        <a href="#">
+                          <span class="absolute inset-0" aria-hidden="true"></span>
+                          Blog
+                        </a>
+                      </h3>
+                      <p class="mt-2 text-sm leading-6 text-gray-600">
+                        Read our latest news and articles.
+                      </p>
+                    </div>
+                    <div class="flex-none self-center">
+                      <svg
+                        class="h-5 w-5 text-gray-400"
+                        viewBox="0 0 20 20"
+                        fill="currentColor"
+                        aria-hidden="true"
+                      >
+                        <path
+                          fill-rule="evenodd"
+                          d="M7.21 14.77a.75.75 0 01.02-1.06L11.168 10 7.23 6.29a.75.75 0 111.04-1.08l4.5 4.25a.75.75 0 010 1.08l-4.5 4.25a.75.75 0 01-1.06-.02z"
+                          clip-rule="evenodd"
+                        />
+                      </svg>
+                    </div>
+                  </li>
+                </ul>
+                 -->
+                                                    <div
+                                                        class="mt-10 flex justify-center"
+                                                    >
+                                                        <a
+                                                            href="/"
+                                                            class="text-sm font-semibold leading-6 text-indigo-600"
+                                                        >
+                                                            <span
+                                                                aria-hidden="true"
+                                                                >&larr;</span
+                                                            >
+                                                            Back to home
+                                                        </a>
+                                                    </div>
+                                                </div>
+                                            </div>
+                                        </div>
+                                    </div>
+                                    <div v-else class="bg-white px-4 py-12">
+                                        <div class="text-center">
+                                            <svg
+                                                class="mx-auto h-12 w-12 text-gray-400"
+                                                fill="none"
+                                                viewBox="0 0 24 24"
+                                                stroke="currentColor"
+                                                aria-hidden="true"
+                                            >
+                                                <path
+                                                    vector-effect="non-scaling-stroke"
+                                                    stroke-linecap="round"
+                                                    stroke-linejoin="round"
+                                                    stroke-width="2"
+                                                    d="M9 13h6m-3-3v6m-9 1V7a2 2 0 012-2h6l2 2h6a2 2 0 012 2v8a2 2 0 01-2 2H5a2 2 0 01-2-2z"
+                                                ></path>
+                                            </svg>
+                                            <h3
+                                                class="mt-2 text-sm font-semibold text-gray-900"
+                                            >
+                                                No records were found
+                                            </h3>
+                                            <p
+                                                class="mt-1 text-sm text-gray-500"
+                                            >
+                                                Try to refine your search query.
+                                                If the problem persist please
+                                                contact us.
+                                            </p>
+                                        </div>
+                                    </div>
+                                </div>
+                            </div>
+                            <div
+                                v-if="results.data.length > 0"
+                                class="flex items-center justify-between bg-white px-4 py-3 sm:px-6 rounded-md"
+                            >
+                                <div
+                                    class="hidden sm:flex sm:flex-1 sm:items-center sm:justify-between"
+                                >
+                                    <div>
+                                        <p class="text-sm text-gray-700">
+                                            Showing
+                                            <span class="font-medium">{{
+                                                results.from
+                                            }}</span>
+                                            to
+                                            <span class="font-medium">{{
+                                                results.to
+                                            }}</span>
+                                            of
+                                            <span class="font-medium">{{
+                                                results.total
+                                            }}</span>
+                                            results
+                                        </p>
+                                    </div>
+                                    <div>
+                                        <nav
+                                            class="isolate inline-flex -space-x-px shadow-sm"
+                                            aria-label="Pagination"
+                                        >
+                                            <a
+                                                @click="navigateTo(link)"
+                                                v-for="link in results.links"
+                                                :key="link.label"
+                                                :class="[
+                                                    link.active
+                                                        ? 'bg-gray-200'
+                                                        : '',
+                                                    'first:rounded-l-lg last:rounded-r-lg relative cursor-pointer inline-flex items-center border border-gray-300 bg-white px-2 py-2 text-sm font-medium text-gray-500 hover:bg-gray-50 focus:z-20',
+                                                ]"
+                                                v-html="link.label"
+                                            >
+                                            </a>
+                                        </nav>
+                                    </div>
+                                </div>
+                            </div>
+                            <div
+                                v-if="recentQueries.length > 0"
+                                class="bg-gray-100 border-t"
+                            >
+                                <div
+                                    class="mx-auto max-w-7xl py-3 px-4 sm:flex sm:items-center sm:px-6 lg:px-16"
+                                >
+                                    <h3
+                                        class="text-sm font-medium text-gray-500"
+                                    >
+                                        Recent Searches
+                                    </h3>
+
+                                    <div
+                                        aria-hidden="true"
+                                        class="hidden h-5 w-px bg-gray-300 sm:ml-4 sm:block"
+                                    ></div>
+                                    <div class="mt-2 sm:mt-0 sm:ml-4">
+                                        <div
+                                            class="-m-1 flex flex-wrap items-center"
+                                        >
+                                            <span
+                                                :key="query"
+                                                v-for="query in recentQueries"
+                                                class="m-1 inline-flex items-center rounded-full border border-gray-200 bg-white py-1.5 pl-3 pr-2 text-sm font-medium text-gray-900"
+                                            >
+                                                <a
+                                                    class="cursor-pointer"
+                                                    @click="search(query)"
+                                                    >{{ query }}</a
+                                                >
+                                                <button
+                                                    type="button"
+                                                    @click="
+                                                        removeSearchQuery(query)
+                                                    "
+                                                    class="ml-1 inline-flex h-4 w-4 flex-shrink-0 rounded-full p-1 text-gray-400 hover:bg-gray-200 hover:text-gray-500"
+                                                >
+                                                    <span class="sr-only"
+                                                        >Remove filter for
+                                                        Objects</span
+                                                    >
+                                                    <svg
+                                                        class="h-2 w-2"
+                                                        stroke="currentColor"
+                                                        fill="none"
+                                                        viewBox="0 0 8 8"
+                                                    >
+                                                        <path
+                                                            stroke-linecap="round"
+                                                            stroke-width="1.5"
+                                                            d="M1 1l6 6m0-6L1 7"
+                                                        ></path>
+                                                    </svg>
+                                                </button>
+                                            </span>
+                                        </div>
+                                    </div>
+                                </div>
+                            </div>
+                        </div>
+                        <div v-if="loading">
+                            <div class="text-center py-20">
+                                <svg
+                                    class="animate-spin -ml-1 mr-3 h-5 w-5 inline"
+                                    xmlns="http://www.w3.org/2000/svg"
+                                    fill="none"
+                                    viewBox="0 0 24 24"
+                                >
+                                    <circle
+                                        class="opacity-25"
+                                        cx="12"
+                                        cy="12"
+                                        r="10"
+                                        stroke="currentColor"
+                                        stroke-width="4"
+                                    ></circle>
+                                    <path
+                                        class="opacity-75"
+                                        fill="currentColor"
+                                        d="M4 12a8 8 0 018-8V0C5.373 0 0 5.373 0 12h4zm2 5.291A7.962 7.962 0 014 12H0c0 3.042 1.135 5.824 3 7.938l3-2.647z"
+                                    ></path>
+                                </svg>
+                                Loading...
+                            </div>
+                        </div>
+                    </section>
+                </div>
+            </div>
+        </div>
+    </app-layout>
+</template>
+<script>
+import AppLayout from "@/Layouts/AppLayout.vue";
+import MoleculeCard from "@/App/MoleculeCard.vue";
+import StructureSearch from "@/App/StructureSearch.vue";
+import JetDropdownLink from "@/Jetstream/DropdownLink.vue";
+import { Menu, MenuItems, MenuButton } from "@headlessui/vue";
+
+export default {
+    components: {
+        AppLayout,
+        MoleculeCard,
+        StructureSearch,
+        JetDropdownLink,
+        Menu,
+        MenuItems,
+        MenuButton,
+    },
+    props: ["page", "query", "limit", "tagType"],
+    data() {
+        return {
+            results: null,
+            loading: false,
+            searchTerm: "",
+            recentQueries: [],
+            type: null,
+            error: null,
+        };
+    },
+    mounted() {
+        this.searchTerm = "";
+        if (this.query) {
+            this.searchTerm = this.query;
+            this.fetchCompounds();
+        } else {
+            this.searchTerm = "";
+            this.fetchCompounds();
+        }
+
+        if (typeof window !== "undefined") {
+            let recentQueries = localStorage.getItem("recentQueries");
+            if (recentQueries) {
+                this.recentQueries = JSON.parse(recentQueries);
+            }
+        }
+
+        if (window.location.hash) {
+            if (window.location.hash == "#structure") {
+                this.$refs["structure-search"].openDialog(true);
+            } else if (window.location.hash == "#advanced") {
+                this.$refs["advanced-search"].openDialog(true);
+            }
+        }
+    },
+    methods: {
+        fetchCompounds(queryT) {
+            this.error = null;
+            this.results = null;
+            this.loading = true;
+            let queryTerm = null;
+            if (queryT) {
+                queryTerm = queryT;
+            } else {
+                queryTerm = this.searchTerm ? this.searchTerm : "";
+            }
+
+            if (queryTerm && queryTerm != "") {
+                let queryType = this.getParameterByName("type");
+                this.type =
+                    queryType && queryType != ""
+                        ? this.getParameterByName("type")
+                        : this.tagQuery(queryTerm);
+            }
+
+            let sort = this.getParameterByName("sort");
+
+            if (typeof window !== "undefined") {
+                let recentQueries = localStorage.getItem("recentQueries");
+                recentQueries = recentQueries ? JSON.parse(recentQueries) : [];
+                recentQueries.push(queryTerm);
+                recentQueries = [...new Set(recentQueries)].filter((n) => n);
+                localStorage.setItem(
+                    "recentQueries",
+                    JSON.stringify(recentQueries)
+                );
+            }
+
+            let url = new URL(window.location);
+            url.searchParams.set("query", queryTerm);
+            url.searchParams.set("page", 1);
+            url = this.sanitiseURL(url);
+            window.history.pushState(
+                null,
+                "",
+                queryTerm == ""
+                    ? window.location.href.split("?")[0]
+                    : url.toString()
+            );
+            let page = this.page ? this.page : 1;
+            let urlEndpoint =
+                "/api/v1/search/?limit=" + this.limit + "&page=" + page;
+            if (sort) {
+                urlEndpoint = urlEndpoint + "&sort=" + sort;
+            }
+
+            if (queryTerm == "") {
+                this.type = "";
+            }
+            axios
+                .post(urlEndpoint, {
+                    query: queryTerm,
+                    type: this.type,
+                    tagType: this.tagType ? this.tagType : null,
+                })
+                .then((response) => {
+                    this.results = response.data;
+                    this.loading = false;
+                })
+                .catch((err) => {
+                    this.loading = false;
+                    this.results = {};
+                    this.results["data"] = [];
+                    this.error = err.response;
+                });
+        },
+        sanitiseURL(url) {
+            for (const [key, value] of url.searchParams.entries()) {
+                if (
+                    value == "null" ||
+                    value == null ||
+                    value == "" ||
+                    value == "undefined"
+                ) {
+                    url.searchParams.delete(key);
+                }
+            }
+            return url;
+        },
+        search(query) {
+            if (query) {
+                this.searchTerm = query;
+                this.type = "text";
+            }
+            this.fetchCompounds(query);
+        },
+        removeSearchQuery(query) {
+            if (typeof window !== "undefined") {
+                let recentQueries = localStorage.getItem("recentQueries");
+                recentQueries = recentQueries ? JSON.parse(recentQueries) : [];
+                recentQueries = recentQueries.filter(function (item) {
+                    return item !== query;
+                });
+                recentQueries = [...new Set(recentQueries)].filter((n) => n);
+                this.recentQueries = recentQueries;
+                localStorage.setItem(
+                    "recentQueries",
+                    JSON.stringify(recentQueries)
+                );
+            }
+        },
+        navigateTo(link) {
+            let queryType = this.getParameterByName("type");
+            let searchTerm = this.searchTerm;
+            let tagType = this.tagType;
+            let location = "/compounds" + link.url;
+
+            let query = queryType ? "&type=" + queryType : "";
+            query += searchTerm ? "&query=" + searchTerm : "";
+            tagType = tagType ? "&tagType=" + tagType : "";
+            window.location = location + query + tagType;
+        },
+        getParameterByName(name, url = window.location.href) {
+            name = name.replace(/[\[\]]/g, "\\$&");
+            var regex = new RegExp("[?&]" + name + "(=([^&#]*)|&|#|$)"),
+                results = regex.exec(url);
+            if (!results) return null;
+            if (!results[2]) return "";
+            return decodeURIComponent(results[2].replace(/\+/g, " "));
+        },
+        downloadSmilesData(downloadType) {
+            console.log("Download Data");
+            console.log(this.$page.props.queryType);
+            axios
+                .post("/downloadSmiles", {
+                    query: this.$page.props.query,
+                    type: this.$page.props.queryType,
+                    downloadType: downloadType,
+                })
+                .then((response) => {
+                    const { url, filename, mimeType } = response.data;
+
+                    // Create a temporary link element
+                    const link = document.createElement("a");
+                    link.href = url;
+                    link.download = filename;
+                    link.type = mimeType;
+
+                    // Programmatically click the link to trigger the file download
+                    link.click();
+                })
+                .catch((error) => {
+                    console.error(error);
+                });
+        },
+    },
+};
+</script>
diff --git a/resources/js/Pages/Public/Project/Dataset.vue b/resources/js/Pages/Public/Project/Dataset.vue
index 14ad36a0..72b7c5ac 100644
--- a/resources/js/Pages/Public/Project/Dataset.vue
+++ b/resources/js/Pages/Public/Project/Dataset.vue
@@ -230,7 +230,7 @@
                                         <li
                                             v-for="molecule in study.data.sample
                                                 .molecules"
-                                            :key="molecule.STANDARD_INCHI"
+                                            :key="molecule.standard_inchi"
                                         >
                                             <div class="relative pb-8">
                                                 <span
@@ -264,7 +264,7 @@
                                                                 <a
                                                                     class="font-medium text-gray-900"
                                                                     >{{
-                                                                        molecule.STANDARD_INCHI
+                                                                        molecule.standard_inchi
                                                                     }}</a
                                                                 >
                                                             </div>
@@ -278,7 +278,7 @@
                                                                 <Depictor2D
                                                                     class="py-4 -px-4"
                                                                     :molecule="
-                                                                        molecule.CANONICAL_SMILES
+                                                                        molecule.canonical_smiles
                                                                     "
                                                                 ></Depictor2D>
                                                             </div>
diff --git a/resources/js/Pages/Public/Project/Study.vue b/resources/js/Pages/Public/Project/Study.vue
index 605b7de1..bb50946c 100644
--- a/resources/js/Pages/Public/Project/Study.vue
+++ b/resources/js/Pages/Public/Project/Study.vue
@@ -209,7 +209,7 @@
                                         <li
                                             v-for="molecule in study.data.sample
                                                 .molecules"
-                                            :key="molecule.STANDARD_INCHI"
+                                            :key="molecule.standard_inchi"
                                         >
                                             <div class="relative pb-8">
                                                 <span
@@ -243,7 +243,7 @@
                                                                 <a
                                                                     class="font-medium text-gray-900"
                                                                     >{{
-                                                                        molecule.STANDARD_INCHI
+                                                                        molecule.standard_inchi
                                                                     }}</a
                                                                 >
                                                             </div>
@@ -257,7 +257,7 @@
                                                                 <Depictor2D
                                                                     class="py-4 -px-4"
                                                                     :molecule="
-                                                                        molecule.CANONICAL_SMILES
+                                                                        molecule.canonical_smiles
                                                                     "
                                                                 ></Depictor2D>
                                                             </div>
diff --git a/resources/js/Pages/Public/Projects.vue b/resources/js/Pages/Public/Projects.vue
index 783363c9..ce4e082f 100644
--- a/resources/js/Pages/Public/Projects.vue
+++ b/resources/js/Pages/Public/Projects.vue
@@ -1,27 +1,82 @@
 <template>
     <app-layout title="Projects">
         <template #header>
-            <div class="bg-white mb-0">
-                <div class="px-8">
-                    <div class="flex flex-nowrap justify-between py-6">
-                        <div>
-                            <div
-                                class="text-4xl mb-3 font-bold tracking-tight text-gray-900"
-                            >
-                                Browse Projects
-                            </div>
-                            <p>
-                                Explore, analyse, and share raw spectral data
-                                and assignments. Learn more about
-                                <a
-                                    class="text-teal-900"
-                                    href="https://docs.nmrxiv.org/docs/introduction/intro"
-                                    target="_blank"
-                                    >projects</a
-                                >.
-                            </p>
-                        </div>
+            <div class="relative border-b border-zinc-900/5">
+                <div
+                    class="relative pt-10 dark:border-white/5 mx-8 max-w-7xl py-12 sm:py-12"
+                >
+                    <div
+                        class="absolute inset-0 bg-gradient-to-r from-[#36b49f] to-[#DBFF75] opacity-40 [mask-image:radial-gradient(farthest-side_at_top,white,transparent)] dark:from-[#36b49f]/30 dark:to-[#DBFF75]/30 dark:opacity-100"
+                    >
+                        <svg
+                            aria-hidden="true"
+                            class="absolute inset-x-0 inset-y-[-50%] h-[200%] w-full skew-y-[-18deg] fill-black/40 stroke-black/50 mix-blend-overlay dark:fill-white/2.5 dark:stroke-white/5"
+                        >
+                            <defs>
+                                <pattern
+                                    id=":r99:"
+                                    width="72"
+                                    height="56"
+                                    patternUnits="userSpaceOnUse"
+                                    x="-12"
+                                    y="4"
+                                >
+                                    <path d="M.5 56V.5H72" fill="none"></path>
+                                </pattern>
+                            </defs>
+                            <rect
+                                width="100%"
+                                height="100%"
+                                stroke-width="0"
+                                fill="url(#:r99:)"
+                            ></rect>
+                            <svg x="-12" y="4" class="overflow-visible">
+                                <rect
+                                    stroke-width="0"
+                                    width="73"
+                                    height="57"
+                                    x="288"
+                                    y="168"
+                                ></rect>
+                                <rect
+                                    stroke-width="0"
+                                    width="73"
+                                    height="57"
+                                    x="144"
+                                    y="56"
+                                ></rect>
+                                <rect
+                                    stroke-width="0"
+                                    width="73"
+                                    height="57"
+                                    x="504"
+                                    y="168"
+                                ></rect>
+                                <rect
+                                    stroke-width="0"
+                                    width="73"
+                                    height="57"
+                                    x="720"
+                                    y="336"
+                                ></rect>
+                            </svg>
+                        </svg>
+                    </div>
+                    <div
+                        class="text-4xl mb-3 font-bold tracking-tight text-gray-900"
+                    >
+                        Browse Projects
                     </div>
+                    <p>
+                        Explore, analyse, and share raw spectral data and
+                        assignments. Learn more about
+                        <a
+                            class="text-teal-900"
+                            href="https://docs.nmrxiv.org/docs/introduction/intro"
+                            target="_blank"
+                            >projects</a
+                        >.
+                    </p>
                 </div>
             </div>
         </template>
@@ -43,7 +98,7 @@
                 </section>
             </div>
         </div>
-        <div class="min-h-[calc(100vh-500px)] px-6 mb-24 mx-auto">
+        <div class="min-h-[calc(100vh-500px)] px-12 mb-24 mx-auto">
             <div class="relative border-gray-200 pt-4">
                 <div class="mx-auto flex items-center justify-between">
                     <Menu as="div" class="relative inline-block text-left">
diff --git a/resources/js/Pages/Public/Studies.vue b/resources/js/Pages/Public/Studies.vue
index a30a74fd..5dfe2fc1 100644
--- a/resources/js/Pages/Public/Studies.vue
+++ b/resources/js/Pages/Public/Studies.vue
@@ -1,27 +1,82 @@
 <template>
     <app-layout title="Spectra">
         <template #header>
-            <div class="bg-white mb-0">
-                <div class="px-8">
-                    <div class="flex flex-nowrap justify-between py-6">
-                        <div>
-                            <div
-                                class="text-4xl mb-3 font-bold tracking-tight text-gray-900"
-                            >
-                                Spectra
-                            </div>
-                            <p>
-                                Explore, analyze, and share raw spectra and
-                                assignments. Learn more about
-                                <a
-                                    class="text-teal-900"
-                                    href="https://docs.nmrxiv.org/docs/introduction/intro"
-                                    target="_blank"
-                                    >spectra</a
-                                >.
-                            </p>
-                        </div>
+            <div class="relative border-b border-zinc-900/5">
+                <div
+                    class="relative pt-10 dark:border-white/5 mx-8 max-w-7xl py-12 sm:py-12"
+                >
+                    <div
+                        class="absolute inset-0 bg-gradient-to-r from-[#36b49f] to-[#DBFF75] opacity-40 [mask-image:radial-gradient(farthest-side_at_top,white,transparent)] dark:from-[#36b49f]/30 dark:to-[#DBFF75]/30 dark:opacity-100"
+                    >
+                        <svg
+                            aria-hidden="true"
+                            class="absolute inset-x-0 inset-y-[-50%] h-[200%] w-full skew-y-[-18deg] fill-black/40 stroke-black/50 mix-blend-overlay dark:fill-white/2.5 dark:stroke-white/5"
+                        >
+                            <defs>
+                                <pattern
+                                    id=":r99:"
+                                    width="72"
+                                    height="56"
+                                    patternUnits="userSpaceOnUse"
+                                    x="-12"
+                                    y="4"
+                                >
+                                    <path d="M.5 56V.5H72" fill="none"></path>
+                                </pattern>
+                            </defs>
+                            <rect
+                                width="100%"
+                                height="100%"
+                                stroke-width="0"
+                                fill="url(#:r99:)"
+                            ></rect>
+                            <svg x="-12" y="4" class="overflow-visible">
+                                <rect
+                                    stroke-width="0"
+                                    width="73"
+                                    height="57"
+                                    x="288"
+                                    y="168"
+                                ></rect>
+                                <rect
+                                    stroke-width="0"
+                                    width="73"
+                                    height="57"
+                                    x="144"
+                                    y="56"
+                                ></rect>
+                                <rect
+                                    stroke-width="0"
+                                    width="73"
+                                    height="57"
+                                    x="504"
+                                    y="168"
+                                ></rect>
+                                <rect
+                                    stroke-width="0"
+                                    width="73"
+                                    height="57"
+                                    x="720"
+                                    y="336"
+                                ></rect>
+                            </svg>
+                        </svg>
+                    </div>
+                    <div
+                        class="text-4xl mb-3 font-bold tracking-tight text-gray-900"
+                    >
+                        Browse Spectra (Samples)
                     </div>
+                    <p>
+                        Explore, analyze, and share raw spectra and assignments.
+                        Learn more about
+                        <a
+                            class="text-teal-900"
+                            href="https://docs.nmrxiv.org/docs/introduction/intro"
+                            target="_blank"
+                            >spectra</a
+                        >.
+                    </p>
                 </div>
             </div>
         </template>
diff --git a/resources/js/Pages/Study/About.vue b/resources/js/Pages/Study/About.vue
index a6d81442..83844b94 100644
--- a/resources/js/Pages/Study/About.vue
+++ b/resources/js/Pages/Study/About.vue
@@ -233,7 +233,7 @@
                                                                 .sample
                                                                 .molecules"
                                                             :key="
-                                                                molecule.STANDARD_INCHI
+                                                                molecule.standard_inchi
                                                             "
                                                         >
                                                             <div
@@ -273,7 +273,7 @@
                                                                                 <a
                                                                                     class="break-all font-medium text-gray-900"
                                                                                     >{{
-                                                                                        molecule.STANDARD_INCHI
+                                                                                        molecule.standard_inchi
                                                                                     }}</a
                                                                                 >
                                                                             </div>
diff --git a/resources/js/Pages/Upload.vue b/resources/js/Pages/Upload.vue
index f7cc9b93..c9131258 100644
--- a/resources/js/Pages/Upload.vue
+++ b/resources/js/Pages/Upload.vue
@@ -1212,7 +1212,7 @@
                                                                                                         .sample
                                                                                                         .molecules"
                                                                                                     :key="
-                                                                                                        molecule.STANDARD_INCHI
+                                                                                                        molecule.standard_inchi
                                                                                                     "
                                                                                                 >
                                                                                                     <div
@@ -1271,7 +1271,7 @@
                                                                                                                             href="#"
                                                                                                                             class="font-medium text-gray-900"
                                                                                                                             >{{
-                                                                                                                                molecule.STANDARD_INCHI
+                                                                                                                                molecule.standard_inchi
                                                                                                                             }}</a
                                                                                                                         >
                                                                                                                     </div>
@@ -1284,13 +1284,13 @@
                                                                                                                     >
                                                                                                                         <div
                                                                                                                             v-if="
-                                                                                                                                molecule.CANONICAL_SMILES
+                                                                                                                                molecule.canonical_smiles
                                                                                                                             "
                                                                                                                         >
                                                                                                                             <Depictor
                                                                                                                                 class="py-4 -px-4"
                                                                                                                                 :model-value="
-                                                                                                                                    molecule.CANONICAL_SMILES
+                                                                                                                                    molecule.canonical_smiles
                                                                                                                                 "
                                                                                                                                 :show-download="
                                                                                                                                     false
@@ -3015,11 +3015,11 @@ export default {
                                     response.data
                                 )
                                 .then((res) => {
-                                    let STANDARD_INCHI = res.data.inchi;
+                                    let standard_inchi = res.data.inchi;
                                     let molExists = false;
                                     study.sample.molecules.forEach((mol) => {
                                         if (
-                                            mol.STANDARD_INCHI == STANDARD_INCHI
+                                            mol.standard_inchi == standard_inchi
                                         ) {
                                             molExists = true;
                                         }
diff --git a/resources/js/Pages/Welcome.vue b/resources/js/Pages/Welcome.vue
index f6829580..1466246e 100644
--- a/resources/js/Pages/Welcome.vue
+++ b/resources/js/Pages/Welcome.vue
@@ -693,7 +693,7 @@
                                         v-for="item in footerNavigation.quicklinks"
                                         :key="item.name"
                                     >
-                                    <Link
+                                        <Link
                                             :href="item.href"
                                             class="text-base text-gray-500 hover:text-gray-900"
                                         >
@@ -703,7 +703,7 @@
                                     <li>
                                         <a
                                             target="_blank"
-                                            href=https://docs.nmrxiv.org/FAQs.html
+                                            href="https://docs.nmrxiv.org/FAQs.html"
                                             class="text-base text-gray-500 hover:text-gray-900"
                                         >
                                             FAQs
@@ -905,8 +905,8 @@ const footerNavigation = {
     //   { name: "Advanced Search", href: "/projects" },
     // ],
     quicklinks: [
-        { name: "Projects", href: "/projects"},
-        { name: "Spectra", href: "/spectra"}
+        { name: "Projects", href: "/projects" },
+        { name: "Spectra", href: "/spectra" },
     ],
     support: [
         { name: "Documentation", href: "https://docs.nmrxiv.org" },
diff --git a/resources/js/Shared/ProjectSearch.vue b/resources/js/Shared/ProjectSearch.vue
index d64be9cb..0aa07e0b 100644
--- a/resources/js/Shared/ProjectSearch.vue
+++ b/resources/js/Shared/ProjectSearch.vue
@@ -6,7 +6,7 @@
                 autocomplete="off"
                 type="text"
                 name="search"
-                placeholder="Search…"
+                placeholder="Search"
                 :value="modelValue"
                 @input="$emit('update:modelValue', $event.target.value)"
             />
diff --git a/resources/js/Shared/Search.vue b/resources/js/Shared/Search.vue
index 2a715aab..d982e0c1 100644
--- a/resources/js/Shared/Search.vue
+++ b/resources/js/Shared/Search.vue
@@ -17,7 +17,7 @@
         >
             <path d="m19 19-3.5-3.5"></path>
             <circle cx="11" cy="11" r="6"></circle></svg
-        ><span class="flex-auto">Search...</span>
+        ><span class="flex-auto">Search</span>
         <kbd class="font-sans text-gray-300 font-semibold dark:text-slate-500"
             ><abbr
                 title="Command"
@@ -83,7 +83,7 @@
                                             <ComboboxInput
                                                 id="searchAC"
                                                 class="h-12 w-full border-0 bg-transparent pl-11 pr-4 text-gray-900 placeholder-gray-500 focus:ring-0 sm:text-sm"
-                                                placeholder="Search..."
+                                                placeholder="Search"
                                                 @input="
                                                     refine(
                                                         $event.currentTarget
diff --git a/resources/js/Shared/StudyCard.vue b/resources/js/Shared/StudyCard.vue
index 114b2a3e..e675144a 100644
--- a/resources/js/Shared/StudyCard.vue
+++ b/resources/js/Shared/StudyCard.vue
@@ -15,13 +15,13 @@
                             <span
                                 v-if="
                                     study.molecules[0] &&
-                                    study.molecules[0].CANONICAL_SMILES
+                                    study.molecules[0].canonical_smiles
                                 "
                             >
                                 <Depictor2D
                                     class="py-2"
                                     :molecule="
-                                        study.molecules[0].CANONICAL_SMILES
+                                        study.molecules[0].canonical_smiles
                                     "
                                     :show-download="false"
                                 ></Depictor2D>
diff --git a/resources/js/Shared/StudyCardPublic.vue b/resources/js/Shared/StudyCardPublic.vue
index 8b481509..ca8f67ca 100644
--- a/resources/js/Shared/StudyCardPublic.vue
+++ b/resources/js/Shared/StudyCardPublic.vue
@@ -21,7 +21,7 @@
                                 <Depictor2D
                                     class="py-2"
                                     :molecule="
-                                        study.molecules[0].CANONICAL_SMILES
+                                        study.molecules[0].canonical_smiles
                                     "
                                     :show-download="false"
                                 ></Depictor2D>
diff --git a/resources/js/Shared/StudyInfo.vue b/resources/js/Shared/StudyInfo.vue
index 856bd6d8..9c4a4d5b 100644
--- a/resources/js/Shared/StudyInfo.vue
+++ b/resources/js/Shared/StudyInfo.vue
@@ -13,7 +13,7 @@
                             <Depictor2D
                                 class="py-2"
                                 :molecule="
-                                    study.sample.molecules[0].CANONICAL_SMILES
+                                    study.sample.molecules[0].canonical_smiles
                                 "
                                 :show-download="false"
                             ></Depictor2D>
diff --git a/resources/js/Shared/Submission.vue b/resources/js/Shared/Submission.vue
index 9860b3e8..25ab4a6b 100644
--- a/resources/js/Shared/Submission.vue
+++ b/resources/js/Shared/Submission.vue
@@ -1133,7 +1133,7 @@
                                                                                         .sample
                                                                                         .molecules"
                                                                                     :key="
-                                                                                        molecule.STANDARD_INCHI
+                                                                                        molecule.standard_inchi
                                                                                     "
                                                                                 >
                                                                                     <div
@@ -1192,7 +1192,7 @@
                                                                                                             href="#"
                                                                                                             class="font-medium text-gray-900"
                                                                                                             >{{
-                                                                                                                molecule.STANDARD_INCHI
+                                                                                                                molecule.standard_inchi
                                                                                                             }}</a
                                                                                                         >
                                                                                                     </div>
diff --git a/routes/api.php b/routes/api.php
index c0837bc7..700caef4 100644
--- a/routes/api.php
+++ b/routes/api.php
@@ -8,6 +8,7 @@
 use App\Http\Controllers\API\Schemas\Bioschema\BiochemaController;
 use App\Http\Controllers\API\Schemas\Bioschema\DataCatalogController;
 use App\Http\Controllers\API\Schemas\Datacite\DataCiteController;
+use App\Http\Controllers\API\SearchController;
 use Illuminate\Support\Facades\Route;
 
 /*
@@ -28,6 +29,9 @@
         });
     });
 
+    // Search
+    Route::post('/search/{smiles?}', [SearchController::class, 'search']);
+
     Route::prefix('files')->group(function () {
         Route::get('/children/{file}', [FileSystemController::class, 'children']);
     });
diff --git a/routes/web.php b/routes/web.php
index 6770bf8b..171e97c6 100644
--- a/routes/web.php
+++ b/routes/web.php
@@ -299,6 +299,9 @@
 Route::get('{id}', [ApplicationController::class, 'resolve'])->where('id', '(P|S|D|M|p|s|d|m)[0-9]+')
     ->name('public');
 
+// Search / browse page
+Route::get('/compounds', [ApplicationController::class, 'compounds'])->name('compounds');
+
 Route::get('/badge/doi/{id}', [ApplicationController::class, 'resolveBadge'])
     ->name('badge.doi');
 

From cf6763e6f595285682cc870f5dd5c44bf6d0a3ef Mon Sep 17 00:00:00 2001
From: Venkata Chandra Sekhar Nainala <mailcs76@gmail.com>
Date: Thu, 16 Nov 2023 14:49:09 +0100
Subject: [PATCH 3/5] fix: updated molecular card link and studies filtering

---
 app/Http/Controllers/StudyController.php      | 18 +++++++--
 app/Models/Molecule.php                       | 40 ++++++-------------
 app/Models/Sample.php                         |  2 +-
 resources/js/App/MoleculeCard.vue             |  8 +++-
 resources/js/Pages/Public/Project/Samples.vue |  5 ++-
 resources/js/Pages/Public/Studies.vue         |  2 +-
 resources/js/Pages/Study/Index.vue            |  5 ++-
 7 files changed, 43 insertions(+), 37 deletions(-)

diff --git a/app/Http/Controllers/StudyController.php b/app/Http/Controllers/StudyController.php
index 9f3b7497..5613d0cb 100644
--- a/app/Http/Controllers/StudyController.php
+++ b/app/Http/Controllers/StudyController.php
@@ -29,13 +29,23 @@ class StudyController extends Controller
 {
     public function publicStudiesView(Request $request)
     {
-        // $datasets = Cache::rememberForever('datasets', function () {
-        $studies = StudyResource::collection(Study::with('datasets')->where([['is_public', true], ['is_archived', false]])->filter($request->only('search', 'sort', 'mode'))->paginate(12)->withQueryString());
-        // });
+        $moleculeId = $request->get('compound');
+        if ($moleculeId) {
+            $molecule = Molecule::where('identifier', $moleculeId)->first();
+            if ($molecule) {
+                $studies = $molecule->studies()->where([['is_public', true], ['is_archived', false]])->filter($request->only('search', 'sort', 'mode'))->paginate(12)->withQueryString();
+            } else {
+                $studies = [];
+            }
+        } else {
+            $studies = Study::with('datasets')->where([['is_public', true], ['is_archived', false]])->filter($request->only('search', 'sort', 'mode'))->paginate(12)->withQueryString();
+        }
+
+        $studiesResource = StudyResource::collection($studies);
 
         return Inertia::render('Public/Studies', [
             'filters' => $request->all('search', 'sort', 'mode'),
-            'studies' => $studies,
+            'studies' => $studiesResource,
         ]);
     }
 
diff --git a/app/Models/Molecule.php b/app/Models/Molecule.php
index b83927d5..1aeec025 100644
--- a/app/Models/Molecule.php
+++ b/app/Models/Molecule.php
@@ -21,34 +21,9 @@ class Molecule extends Model
         'standard_inchi',
         'inchi_key',
         'standard_inchi_key',
-        'fp0',
-        'fp1',
-        'fp2',
-        'fp3',
-        'fp4',
-        'fp5',
-        'fp6',
-        'fp7',
-        'fp8',
-        'fp9',
-        'fp10',
-        'fp11',
-        'fp12',
-        'fp13',
-        'fp14',
-        'fp15',
-        'DBE',
-        'SSSR',
-        'SAR',
         'COMMENT',
-        'fORMULA',
-        'MULTIPLICITY_0',
-        'MULTIPLICITY_1',
-        'MULTIPLICITY_2',
-        'MULTIPLICITY_3',
-        'VIEWS',
-        'DOI',
-        'MOL',
+        'doi',
+        'sdf',
     ];
 
     /**
@@ -67,4 +42,15 @@ public function samples()
             ->withPivot('percentage_composition')
             ->withTimestamps();
     }
+
+    public function studies()
+    {
+        $samples = $this->samples->load('study');
+        $studies = [];
+        foreach ($samples as $sample) {
+            array_push($studies, $sample->study->id);
+        }
+
+        return Study::whereIn('id', $studies);
+    }
 }
diff --git a/app/Models/Sample.php b/app/Models/Sample.php
index b5a80ce2..38c1796c 100644
--- a/app/Models/Sample.php
+++ b/app/Models/Sample.php
@@ -32,6 +32,6 @@ public function molecules()
      */
     public function study()
     {
-        return $this->belongsTo(Sample::class);
+        return $this->belongsTo(Study::class, 'study_id');
     }
 }
diff --git a/resources/js/App/MoleculeCard.vue b/resources/js/App/MoleculeCard.vue
index 01e706fe..24c4443b 100644
--- a/resources/js/App/MoleculeCard.vue
+++ b/resources/js/App/MoleculeCard.vue
@@ -51,7 +51,9 @@
                         </div>
                     </div>
                     <div class="font-bold text-md mb-2">
-                        <a class="font-semibold text-gray-600 hover:underline"
+                        <a
+                            :href="'/spectra?compound=' + molecule.identifier"
+                            class="font-semibold text-gray-600 hover:underline"
                             >#NMRXIV:{{ molecule.identifier }}</a
                         >
                     </div>
@@ -103,7 +105,9 @@
                         </div>
                     </div>
                     <div class="font-bold text-md mb-2">
-                        <a class="font-semibold text-gray-600 hover:underline"
+                        <a
+                            :href="'/spectra?compound=' + molecule.identifier"
+                            class="font-semibold text-gray-600 hover:underline"
                             >#NMRXIV:{{ molecule.identifier }}</a
                         >
                     </div>
diff --git a/resources/js/Pages/Public/Project/Samples.vue b/resources/js/Pages/Public/Project/Samples.vue
index d3cd6971..1ee5907b 100644
--- a/resources/js/Pages/Public/Project/Samples.vue
+++ b/resources/js/Pages/Public/Project/Samples.vue
@@ -86,7 +86,10 @@
                             </div>
                         </div>
                         <div
-                            v-if="studies.meta.total > studies.meta.per_page"
+                            v-if="
+                                studies.meta &&
+                                studies.meta.total > studies.meta.per_page
+                            "
                             class="block w-100 mt-10"
                         >
                             <nav
diff --git a/resources/js/Pages/Public/Studies.vue b/resources/js/Pages/Public/Studies.vue
index 5dfe2fc1..7d164668 100644
--- a/resources/js/Pages/Public/Studies.vue
+++ b/resources/js/Pages/Public/Studies.vue
@@ -193,7 +193,7 @@
                 </div>
             </div>
 
-            <div v-if="studies.meta.total > 0">
+            <div v-if="studies.meta && studies.meta.total > 0">
                 <div class="border-t mt-3 border-gray-100">
                     <h2 class="text-gray-600 text-md mt-4 font-bold">
                         Results ({{ studies.meta.total }})
diff --git a/resources/js/Pages/Study/Index.vue b/resources/js/Pages/Study/Index.vue
index 46291426..41d1e06c 100644
--- a/resources/js/Pages/Study/Index.vue
+++ b/resources/js/Pages/Study/Index.vue
@@ -177,7 +177,10 @@
                     </div>
                 </div>
                 <div
-                    v-if="studies.meta.total > studies.meta.per_page"
+                    v-if="
+                        studies.meta &&
+                        studies.meta.total > studies.meta.per_page
+                    "
                     class="block w-100 mt-10"
                 >
                     <nav

From bb3d7012123df556c63188443b9741e7a8ea2ab9 Mon Sep 17 00:00:00 2001
From: Venkata Chandra Sekhar Nainala <mailcs76@gmail.com>
Date: Thu, 16 Nov 2023 15:42:51 +0100
Subject: [PATCH 4/5] fix: molecules filtering and other bug fixes

---
 app/Http/Controllers/API/SearchController.php |  8 +-
 resources/js/Pages/Study/About.vue            | 77 ++++++++++---------
 resources/js/Pages/Upload.vue                 |  4 +-
 3 files changed, 46 insertions(+), 43 deletions(-)

diff --git a/app/Http/Controllers/API/SearchController.php b/app/Http/Controllers/API/SearchController.php
index 681c9e67..f4dd4ff8 100644
--- a/app/Http/Controllers/API/SearchController.php
+++ b/app/Http/Controllers/API/SearchController.php
@@ -156,7 +156,7 @@ public function search(Request $request)
                     $offset;
             } elseif ($queryType == 'inchi') {
                 $statement =
-                    "select id, COUNT(*) OVER () from molecules where standard_inchi LIKE '%".
+                    "select id, COUNT(*) OVER () from molecules WHERE identifier NOTNULL AND standard_inchi LIKE '%".
                     $query.
                     "%' limit ".
                     $limit.
@@ -164,7 +164,7 @@ public function search(Request $request)
                     $offset;
             } elseif ($queryType == 'inchikey') {
                 $statement =
-                    "select id, COUNT(*) OVER () from molecules where standard_inchi_key LIKE '%".
+                    "select id, COUNT(*) OVER () from molecules WHERE identifier NOTNULL AND standard_inchi_key LIKE '%".
                     $query.
                     "%' limit ".
                     $limit.
@@ -257,7 +257,7 @@ public function search(Request $request)
                 if ($query) {
                     $query = str_replace("'", "''", $query);
                     $statement =
-                        "select id, COUNT(*) OVER () from molecules WHERE (\"name\"::TEXT ILIKE '%".
+                        "select id, COUNT(*) OVER () from molecules WHERE identifier NOTNULL AND (\"name\"::TEXT ILIKE '%".
                         $query.
                         "%') OR (\"synonyms\"::TEXT ILIKE '%".
                         $query.
@@ -294,7 +294,7 @@ public function search(Request $request)
 
                 if ($ids != '') {
                     $statement =
-                        'SELECT * FROM molecules WHERE ID IN ('.
+                        'SELECT * FROM molecules WHERE identifier NOTNULL AND ID IN ('.
                         implode(
                             ',',
                             collect($hits)
diff --git a/resources/js/Pages/Study/About.vue b/resources/js/Pages/Study/About.vue
index 83844b94..a169bf5b 100644
--- a/resources/js/Pages/Study/About.vue
+++ b/resources/js/Pages/Study/About.vue
@@ -284,13 +284,11 @@
                                                                             <div
                                                                                 class="rounded-md border my-3 flex justify-center items-center"
                                                                             >
-                                                                                <span
-                                                                                    v-html="
-                                                                                        getSVGString(
-                                                                                            molecule
-                                                                                        )
+                                                                                <Depictor2D
+                                                                                    :molecule="
+                                                                                        molecule.canonical_smiles
                                                                                     "
-                                                                                ></span>
+                                                                                ></Depictor2D>
                                                                             </div>
                                                                         </div>
                                                                         <button
@@ -492,7 +490,7 @@
                                                 <button
                                                     type="button"
                                                     class="inline-flex items-center px-4 py-2 border border-transparent rounded-md shadow-sm text-sm font-medium text-white bg-teal-600 hover:bg-teal-700 focus:outline-none focus:ring-2 focus:ring-offset-2 focus:ring-teal-500"
-                                                    @click="saveMolecule"
+                                                    @click="saveMolecule(null)"
                                                 >
                                                     ADD
                                                 </button>
@@ -607,6 +605,7 @@ import slider from "vue3-slider";
 import OCL from "openchemlib/full";
 import ToolTip from "@/Shared/ToolTip.vue";
 import JetInputError from "@/Jetstream/InputError.vue";
+import Depictor2D from "@/Shared/Depictor2D.vue";
 export default {
     components: {
         StudyContent,
@@ -617,6 +616,7 @@ export default {
         PencilIcon,
         InformationCircleIcon,
         JetInputError,
+        Depictor2D,
     },
     props: [
         "study",
@@ -702,7 +702,7 @@ export default {
                 });
         },
         editMolecule(mol) {
-            this.editor.setMolFile("\n  " + mol.MOL.replaceAll('"', ""));
+            this.editor.setSmiles(mol.canonical_smiles);
             this.percentage = parseInt(mol.pivot.percentage_composition);
             axios
                 .delete(
@@ -715,36 +715,39 @@ export default {
                     this.study.sample.molecules = res.data;
                 });
         },
-        saveMolecule() {
-            let mol = this.editor.getMolFile();
+        saveMolecule(mol, study) {
+            if (!study) {
+                study = this.study;
+            }
+            if (!mol) {
+                let mol = this.editor.getMolFile();
+                this.standardizeMolecules(mol).then((res) => {
+                    this.associateMoleculeToStudy(res.data, study);
+                });
+            } else {
+                this.associateMoleculeToStudy(mol, study);
+            }
+        },
+        standardizeMolecules(mol) {
+            return axios.post(
+                "https://api.naturalproducts.net/latest/chem/standardize",
+                mol
+            );
+        },
+        associateMoleculeToStudy(mol, study) {
             axios
-                .post(
-                    "https://www.cheminfo.org/webservices/inchi",
-                    "molfile=" + mol
-                )
-                .then((response) => {
-                    let InChI = response.data.output.InChI;
-                    let InChIKey = response.data.output.InChIKey;
-                    let MF = this.editor
-                        .getMolecule()
-                        .getMolecularFormula().formula;
-                    axios
-                        .post(
-                            "/dashboard/studies/" + this.study.id + "/molecule",
-                            {
-                                InChI: InChI,
-                                InChIKey: InChIKey,
-                                percentage: this.percentage,
-                                formula: MF,
-                                mol: mol,
-                            }
-                        )
-                        .then((res) => {
-                            this.study.sample.molecules = res.data;
-                            this.smiles = "";
-                            this.percentage = 0;
-                            this.editor.setSmiles("");
-                        });
+                .post("/dashboard/studies/" + study.id + "/molecule", {
+                    InChI: mol.inchi,
+                    InChIKey: mol.inchikey,
+                    percentage: 0,
+                    mol: mol.standardized_mol,
+                    canonical_smiles: mol.canonical_smiles,
+                })
+                .then((res) => {
+                    study.sample.molecules = res.data;
+                    this.smiles = "";
+                    this.percentage = 0;
+                    // this.editor.setSmiles("");
                 });
         },
     },
diff --git a/resources/js/Pages/Upload.vue b/resources/js/Pages/Upload.vue
index c9131258..9b5ca7d2 100644
--- a/resources/js/Pages/Upload.vue
+++ b/resources/js/Pages/Upload.vue
@@ -2883,12 +2883,12 @@ export default {
         },
         standardizeMolecules(mol) {
             return axios.post(
-                "https://dev.api.naturalproducts.net/latest/chem/standardize",
+                "https://api.naturalproducts.net/latest/chem/standardize",
                 mol
             );
         },
         editMolecule(mol) {
-            this.editor.setMolFile(mol.MOL);
+            this.editor.setSmiles(mol.canonical_smiles);
             this.percentage = parseInt(mol.pivot.percentage_composition);
             axios
                 .delete(

From 6d5af2d94cc9e614603f639dc5d937166c053158 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Thu, 16 Nov 2023 14:50:51 +0000
Subject: [PATCH 5/5] chore(main): release 1.0.1-rc.10

---
 CHANGELOG.md | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index 11d7fe67..65d08759 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -1,5 +1,15 @@
 # Changelog
 
+## [1.0.1-rc.10](https://github.com/NFDI4Chem/nmrxiv/compare/v1.0.0-rc.10...v1.0.1-rc.10) (2023-11-16)
+
+
+### Bug Fixes
+
+* added molecular search ([8dfcc4a](https://github.com/NFDI4Chem/nmrxiv/commit/8dfcc4a0a2b218ee68e7d39d8916ac44e93af508))
+* enable listing of files with missing flag at root and title udpates ([05adf74](https://github.com/NFDI4Chem/nmrxiv/commit/05adf74dbf0161c38475821f7c5528597d717a4a))
+* molecules filtering and other bug fixes ([bb3d701](https://github.com/NFDI4Chem/nmrxiv/commit/bb3d7012123df556c63188443b9741e7a8ea2ab9))
+* updated molecular card link and studies filtering ([cf6763e](https://github.com/NFDI4Chem/nmrxiv/commit/cf6763e6f595285682cc870f5dd5c44bf6d0a3ef))
+
 ## [1.0.1-rc.9](https://github.com/NFDI4Chem/nmrxiv/compare/v1.0.0-rc.9...v1.0.1-rc.9) (2023-11-15)
 
 
