Download QMPRPlus

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QMPRPlus is an advanced computer program that enables pharmaceutical researchers to rapidly estimate a number of ADME properties (listed below) of new chemical entities (NCE’s) from their molecular structure. These predictions can be further utilized as inputs for our software product GastroPlus to calculate fraction absorbed, or used internally by a highly accurate screening filter called J-Alert. Estimates are quickly and easily produced interactively or in batch, by simply inputting the basic structural characteristics of a molecule. The program accepts inputs in one of the following formats:

• SMILES strings (2D predictive models only)
• ISIS/Base Structure Data Format (SDF)
Download QMPRPlus