Open source drug/lead compound discovery: Difference between revisions
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Revision as of 16:45, 10 May 2006
- CoEPrA (Comparative Evaluation of Prediction Algorithms)
- Data sets for classification and regression algorithms selected from chemoinformatics, drug design, QSAR, bioinformatics, computational biology, medicine, toxicology, microarray data, and proteomics.
- Emphasis on prediction of physico-chemical properties and biological activities from molecular descriptors derived from the chemical structure.
