ChemSpaceTraker is an unsupervised tool able to qualitatively and quantitatively navigate the chemical space of small molecules.
SMILES strings are interpreted in a more readable visual output.
The main idea behind ChemSpaceTracker is to track similar molecules which can possess similar activity/properties.
The software is generally utilized in Virtual Screening or High Throughput Screening procedures to enhance the drug discovery success rate!
Copyright (C) 2018 Giuseppe Marco Randazzo Contact: https://www.gmrandazzo.net Email: gmrandazzo@gmail.com
This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
You should have received a copy of the GNU General Public License along with this program. If not, see https://www.gnu.org/licenses/.