Current location: Chemistry > Software > Cheminformatics
1. Molinspiration Cheminformatics
Web-enabled software for large-scale calculation of molecular properties and database searches. Free online molecular descriptor calculations.
http://www.molinspiration.com/ - 09-01-2004
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[detailed information]
Rating: [6.40] Votes: [10]
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2. ID Business Solutions
Integrated framework for discovery data, from initial data capture to results analysis and reporting, to long-term data management.
http://www.id-bs.com/ - 22-01-2001
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[detailed information]
Rating: [6.00] Votes: [2103]
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3. JOELib
Java based computational chemistry package which supports file conversion, SMARTS substructure search, QSAR descriptor calculation and process/filter methods
http://www-ra.informatik.uni-tuebingen.de/software/joelib/index.html - 11-04-2002
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[detailed information]
Rating: [5.56] Votes: [9]
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4. Advanced Pharma Algorithms
PC Software for QSAR and lead optimization. QSAR Builder, ADME/Tox Screens, QSAR Stats, and Algorithm Builder.
http://ap-algorithms.com/ - 18-08-2000
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[detailed information]
Rating: [5.00] Votes: [1276]
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5. 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 r
http://www.bioreason.com - 18-07-2003
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[detailed information]
Rating: [5.00] Votes: [2077]
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6. Topological descriptors
Descriptor is a free VisualBasic program for the calculation of graph-theoretic indices.
http://www.geocities.com/jonarg/index.htm - 15-02-2003
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[detailed information]
Rating: [4.00] Votes: [1446]
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