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Cheminformatics
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Advanced Pharma Algorithms open in new window
PC Software for QSAR and lead optimization. QSAR Builder, ADME/Tox Screens, QSAR Stats, and Algorithm Builder.
(http://ap-algorithms.com/)

Bioreason open in new window
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)

ID Business Solutions open in new window
Integrated framework for discovery data, from initial data capture to results analysis and reporting, to long-term data management.
(http://www.id-bs.com/)

JOELib open in new window
Java based computational chemistry package which supports file conversion, SMARTS substructure search, QSAR descriptor calculation and process/filter methods for molecular data sets.
(http://www-ra.informatik.uni-tuebingen.de/software/joelib/in)

Molinspiration Cheminformatics open in new window
Web-enabled software for large-scale calculation of molecular properties and database searches. Free online molecular descriptor calculations.
(http://www.molinspiration.com/)

Topological descriptors open in new window
Descriptor is a free VisualBasic program for the calculation of graph-theoretic indices.
(http://www.geocities.com/jonarg/index.htm)


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