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Cheminformatics Home : Chemistry : Software : Cheminformatics Directory Listing(s) • Advanced Pharma Algorithms PC Software for QSAR and lead optimization. QSAR Builder, ADME/Tox Screens, QSAR Stats, and Algorithm Builder. • 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. • Cheminformatics.org Links to cheminformatics programs and QSAR datasets. Most programs are free, at least to academics. • ChemTK - A Chemistry Toolkit for Windows Tools for visualization, clustering, querying, QSAR, descriptors, and similarity analyses of chemical information. Free version available. • ID Business Solutions Integrated framework for discovery data, from initial data capture to results analysis and reporting, to long-term data management. • Molinspiration Cheminformatics Web-enabled software for large-scale calculation of molecular properties and database searches. Free online molecular descriptor calculations.

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