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Cheminformatics
You are here: Home > Chemistry > Software > Cheminformatics
Listings
Advanced Pharma Algorithms
PC Software for QSAR and lead optimization. QSAR Builder, ADME/Tox Screens, QSAR Stats, and Algorithm Builder.
http://ap-algorithms.com/
Bioreason
Desktop software and services for screening data analysis, hit to lead finding, scaffolds identification, SAR development and lead optimization. Downloadable trial ClassPharmer Suite available upon request.
http://www.bioreason.com
Cheminformatics.org
Links to cheminformatics programs and QSAR datasets. Most programs are free, at least to academics.
http://www.cheminformatics.org
ChemTK - A Chemistry Toolkit for Windows
Tools for visualization, clustering, querying, QSAR, descriptors, and similarity analyses of chemical information. Free version available.
http://www.sageinformatics.com
ID Business Solutions
Integrated framework for discovery data, from initial data capture to results analysis and reporting, to long-term data management.
http://www.idbs.com/
Molinspiration Cheminformatics
Web-enabled software for large-scale calculation of molecular properties and database searches. Free online molecular descriptor calculations.
http://www.molinspiration.com/