QMPRPlus, PathArt, OEChem 1.3, Hybrid Substructure Search module (HySS), Integr8, BioPax level 1, GDAS, Ensembl | GenomeWeb

Simulations Plus has released version 5.0 of its QMPRPlus software for predicting the pharmacological properties of potential drug molecules from their structure. New features include prediction of multiple ionization constants for molecules that have multiple ionizable atoms, and prediction of the potential for toxicity based on inhibition of estrogen binding to the estrogen receptor.

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