From 8ac684113529d10161f4380fc7472e13dd68a5e4 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Andr=C3=A9=20Santanch=C3=A8?= Date: Fri, 5 Nov 2021 09:00:56 -0300 Subject: [PATCH] feat (lab10): new lab10 and templates of lab09 --- data/zombie/zombie-health/zombie-diet.csv | 102 +++++++ labs/2021/09-grafo-conhecimento/README.md | 21 ++ ...balho-2021-05-etapa-05-laboratorio-v01.pdf | Bin 0 -> 33222 bytes .../faers-association-rules.ipynb | 286 ++++++++++++++++++ .../respostas/faers-lab-01-resposta.ipynb | 49 +-- templates/2021/lab09/README.md | 25 ++ .../2021/lab09/images/grafo-conhecimento.png | Bin 0 -> 86399 bytes ...b01-xpath-xquery.md => 01-xpath-xquery.md} | 0 ...coes.ipynb => 02-xquery-publicacoes.ipynb} | 0 ...xquery-dron.ipynb => 03-xquery-dron.ipynb} | 0 ....md => 04-xquery-drom-pubchem-questoes.md} | 0 xml/04-xquery-drom-pubchem-txqueryengine.md | 183 +++++++++++ ...hem.md => 04-xquery-drom-pubchem-zorba.md} | 8 +- 13 files changed, 630 insertions(+), 44 deletions(-) create mode 100644 data/zombie/zombie-health/zombie-diet.csv create mode 100644 labs/2021/09-grafo-conhecimento/README.md create mode 100644 labs/2021/09-grafo-conhecimento/bd-trabalho-2021-05-etapa-05-laboratorio-v01.pdf create mode 100644 labs/2021/10-regras-associacao/faers-association-rules.ipynb create mode 100644 templates/2021/lab09/README.md create mode 100644 templates/2021/lab09/images/grafo-conhecimento.png rename xml/{lab01-xpath-xquery.md => 01-xpath-xquery.md} (100%) rename xml/{lab02-xquery-publicacoes.ipynb => 02-xquery-publicacoes.ipynb} (100%) rename xml/{lab03-xquery-dron.ipynb => 03-xquery-dron.ipynb} (100%) rename xml/{lab04-xquery-drom-pubchem-questoes.md => 04-xquery-drom-pubchem-questoes.md} (100%) create mode 100644 xml/04-xquery-drom-pubchem-txqueryengine.md rename xml/{lab04-xquery-drom-pubchem.md => 04-xquery-drom-pubchem-zorba.md} (97%) diff --git a/data/zombie/zombie-health/zombie-diet.csv b/data/zombie/zombie-health/zombie-diet.csv new file mode 100644 index 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+0,0,1,0,0,0,1,1,1,1,0,0,1,0,0,5,savanna +0,0,1,0,0,1,1,1,1,0,0,1,1,0,1,1,forest +1,0,0,1,1,0,0,1,1,1,0,0,1,0,0,3,north +1,0,0,1,0,0,0,1,1,1,0,0,1,0,0,5,north +0,1,1,0,1,0,1,0,1,1,0,0,1,0,1,3,highlands +1,0,0,1,0,0,0,1,1,1,0,0,1,0,1,3,north +1,0,1,0,1,0,0,0,0,1,1,0,0,0,0,7,mountains +1,0,0,1,0,0,1,1,1,1,0,0,1,0,1,5,north +0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,1,south +0,1,1,0,1,0,0,0,1,1,0,0,1,0,0,3,highlands diff --git a/labs/2021/09-grafo-conhecimento/README.md b/labs/2021/09-grafo-conhecimento/README.md new file mode 100644 index 0000000..142590b --- /dev/null +++ b/labs/2021/09-grafo-conhecimento/README.md @@ -0,0 +1,21 @@ +# Modelo Lógico para Banco de Dados de Grafos +## Laboratório 9 + Trabalho Final Etapa 5 +*Lab de Bancos de Dados em 22/10/2021* + +* [Especificação em PDF](bd-trabalho-2021-05-etapa-05-laboratorio-v01.pdf) + +O objetivo é usar o espaço do laboratório para praticar conceitos que contribuam na elaboração do trabalho. Como é um laboratório, o conteúdo desta entrega pode ser debatido com a sua equipe, mas a entrega deve ser individual, diferente dos demais membros do grupo (apesar de poder haver partes semelhantes). Será aceito que membros diferentes de uma equipe tenham uma fonte de dados ou modelos equivalentes, mas os exemplos devem ser diferentes para cada membro. + +Baseado no tema escolhido pela equipe, considere que o banco compartilhado poderá oferecer dados na forma de grafo de conhecimento, ou se enriquecer a partir de um grafo de conhecimento. Nesse sentido, proponha: + +* Como você publicaria seus dados ou parte dos seus dados na forma de um grafo de conhecimento. Use um exemplo de um grafo (apresente na forma de para ilustrar o modelo de (recurso, propriedade, valor). + +ou + +* Que base que apresenta seus dados na forma de grafo de conhecimento você usaria para enriquecer seu banco de dados (mesmo que este não esteja na forma de um grafo de conhecimento). Use um exemplo para ilustrar como você usaria o grafo para enriquecer seu banco e mostre como o esquema do seu banco evoluiria para comportar esse enriquecimento. + +Apresente um conjunto de queries ou perguntas que podem ser respondidas pelo seu grafo – devem ser no mínimo três queries ou perguntas. + +Submeta a resposta conforme modelo no template: `/templates/2021/lab09`. + +A entrega deste laboratório deve ser feita no Github individual (não da equipe). 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z9E4t(iwx(!ZvKH@Fdz1mH4+H&TTv`CTUoI0?-{mu7gtodf}Z%~M|DoPt&tJ;jWw=> z2K>wB`MdR)2s`hVRst#AR=fPwrl-^i)?4}xLhDI7TkZpTzfFLThpY3R&_qfMIv4i7 z4fq$l_@lGzxcgS&i(MPO-!5B=?JhZ4qN0Q~2lQ19#(XP%mVnrK`N+GCR?EVLd6Y!v zjbRJY$8pSnVf~H?+j5CLc5zJ!7*aeXEFQ{sYjb<_`K9K9uf<272x#Ro4c4u<{O`{TUUQXC6p+rSFsQ%k~@08r}cBRZ}o^}n#YpG zWS(*T_f^OzSNFoF+j~#Z{0Sp`1&$feUW2c}E0!|{Wdj!ubK3`)cwlPq_>)j{a$CBi zdhm<6mNwh-X+Ml?N(hOINgdDbOS;4m2S9jNK>ZV?nt2D|j%sp~(;xpdRwA69_UMQ^ zKX`oNaBQ;$cn_2_WydeQ8xa3lMbxl` represents a drug or drug classification (group). When a drug is part of a classification its `` element is subordinated to the classification. It produces a hierarchy as further illustrated. + +## Exploring + +Go to the Ontology Search related to DRON Ontology: https://www.ebi.ac.uk/ols/ontologies/dron + +Look for: `acetylsalicylic acid` + +The tree view will look like this: + +![acetylsalicylic acid tree view](images/ontology-search-acetylsalicylic-acid.png) + +# Basics + +The following queries will be tested on https://www.videlibri.de/cgi-bin/xidelcgi + +Name of all the classifications one level up (direct parents) of `Acetylsalicylic Acid` (with repetitions). + +~~~xquery +//drug[drug/@name="ACETYLSALICYLIC ACID"]/@name +~~~ + +Same as the previous query, but iterating each classification element in a FOR. + +~~~xquery +for $d in (//drug[drug/@name="ACETYLSALICYLIC ACID"]) +return data($d/@name) +~~~ + +Using the GROUP BY clause to avoid repetitions. + +~~~xquery +for $d in (//drug[drug/@name="ACETYLSALICYLIC ACID"]) +let $gr := $d/@name +group by $gr +return data($gr) +~~~ + +Expanding to all levels up of classification, i.e., all (parent) classifications related to `Acetylsalicylic Acid` (paths from the `Acetylsalicylic Acid` to the root), without repetition. + +~~~xquery +for $d in (//drug[drug//@name="ACETYLSALICYLIC ACID"]) +let $parent := $d/@name +group by $parent +order by $parent +return data($parent) +~~~ + +# Integrating PubChem to DRON + +A list of all PubChem elements that have cross-reference with ChEBI was retrieved by the REST call: + +https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sourceall/ChEBI/xrefs/RegistryID/XML + +The result of this call was materialized at: + +https://raw.githubusercontent.com/santanche/lab2learn/master/data/pubchem/pubchem-chebi.xml + +The following XQuery fetches the list and displays the ChEBI codes. It uses substring to remove the CHEBI prefix, maintaining only the code: + +~~~xquery +let $pubchem := doc('https://raw.githubusercontent.com/santanche/lab2learn/master/data/pubchem/pubchem-chebi.xml') +for $p in ($pubchem//RegistryID) +return substring($p/text(), 7) +~~~ + +## JOIN + +The following code does a JOIN between the previous list, retrieved from PubChem and compounds in DRON. It adds a URI prefix to be compatible with the DRON approach of defining the code: + +~~~xquery +let $pubchem := doc('https://raw.githubusercontent.com/santanche/lab2learn/master/data/pubchem/pubchem-chebi.xml') +let $dron := doc('https://raw.githubusercontent.com/santanche/lab2learn/master/data/faers-2017-dron/dron.xml') +for $p in ($pubchem//RegistryID), + $d in ($dron//drug) +where concat('http://purl.obolibrary.org/obo/CHEBI_',substring($p/text(), 7)) = $d/@id +let $gr := $d/@name +group by $gr +order by $gr +return {data($gr), ' '} +~~~ + +# Enriching XML with Python + +Departing from the list of all PubChem elements that have cross-reference with ChEBI, produced previously, it is possible to produce an XML file with the SIDs (PubChem) of the substances that appears in both: + +~~~xquery +let $pubchem := doc('https://raw.githubusercontent.com/santanche/lab2learn/master/data/pubchem/pubchem-chebi.xml') +let $dron := doc('https://raw.githubusercontent.com/santanche/lab2learn/master/data/faers-2017-dron/dron.xml') +return + +{for $p in ($pubchem//Information), + $d in ($dron//drug) +where concat('http://purl.obolibrary.org/obo/CHEBI_',substring($p/RegistryID/text(), 7)) = $d/@id +let $gr := $p/SID/text() +group by $gr +order by $gr +return {data($gr)} +} +~~~ + +In the following notebook, there is a code that produces a REST request for each id to retrieve synonym names from PubChem. It illustrates how to explore Python to enrich XML resources. + +https://github.com/santanche/lab2learn/blob/master/api/pubchem/pubchem-api.ipynb diff --git a/xml/lab04-xquery-drom-pubchem.md b/xml/04-xquery-drom-pubchem-zorba.md similarity index 97% rename from xml/lab04-xquery-drom-pubchem.md rename to xml/04-xquery-drom-pubchem-zorba.md index 9e335d1..14612ea 100644 --- a/xml/lab04-xquery-drom-pubchem.md +++ b/xml/04-xquery-drom-pubchem-zorba.md @@ -30,9 +30,11 @@ It is possible to retrieve data from this substance with the REST request: https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sid/49854366/XML -This substance will be used as an example in the following queries. +This substance will be used as an example in the following queries. -Since Zorba did not accept to fetch the data straight from the result, the file was downloaded and is available here: +## Zorba + +Since Zorba does not accept to fetch the data straight from the result, the file was downloaded and is available here: https://github.com/santanche/lab2learn/blob/master/data/pubchem/pubchem-acetylsalicylic-acid.xml @@ -200,4 +202,4 @@ return {data($gr)} In the following notebook, there is a code that produces a REST request for each id to retrieve synonym names from PubChem. It illustrates how to explore Python to enrich XML resources. -https://github.com/santanche/lab2learn/blob/master/api/pubchem/pubchem-api.ipynb \ No newline at end of file +https://github.com/santanche/lab2learn/blob/master/api/pubchem/pubchem-api.ipynb