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)