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 DIRECTORY/Science/Tech/Chemistry/Software/Cheminformatics (8)
i0Advanced Pharma Algorithms - http://ap-algorithms.com/ - PC Software for QSAR and lead optimization. QSAR Builder, ADME/Tox Screens, QSAR Statistics, and Algorithm Builder.
 
i0Bioreason - http://www.bioreason.com - 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.
 
i0Cheminformatics.org - http://www.cheminformatics.org - Links to cheminformatics programs and QSAR datasets. Most programs are free, at least to academics.
 
i0ID Business Solutions - http://www.idbs.com/ - Integrated framework for discovery data, from initial data capture to results analysis and reporting, to long-term data management.
 
i0MayaChemTools - http://www.mayachemtools.org - Free collection of Perl scripts to support day-to-day computational discovery needs.
 
i0Molinspiration Cheminformatics - http://www.molinspiration.com/ - Web-enabled software for large-scale calculation of molecular properties and database searches. Free online molecular descriptor calculations.
 
i0Virtual Computational Chemistry Laboratory - http://www.vcclab.org - Free on-line calculation of lipophilicity, logP, aqueous solubility, logS, molecular indices using Java applets. Analysis methods include neural networks, partial least squares and unsupervised forward selection.
 
i0ilib diverse - http://www.inteligand.com/ilibdiverse/index.shtml - Organic compound library generation program using Monte Carlo randomization and property filtering.
 
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