Simulations Plus, Inc. (AMEX: SLP), the leading provider of ADMET absorption simulation and neural net structure-to-property prediction software for pharmaceutical discovery and development, announced today that it has released version 1.0 of ADMET Predictor™, formerly known as QMPRPlus™.

Ron Creeley , vice president of marketing and sales of Simulations Plus, said: “We are pleased to announce the official release of ADMET Predictor. As announced earlier, we have changed the name from QMPRPlus to ADMET Predictor to better communicate the purpose of this powerful software package to customers and investors. ADMET is a common acronym in the pharmaceutical industry, and it stands for ‘Absorption, Distribution, Metabolism, Excretion and Toxicity.’ ADMET Predictor does as the name implies – it predicts a large number of ADMET properties of molecules from their structure alone. We have also changed the price structure of ADMET Predictor so that all separately priced modules and all new functions are included in a single package for one price.”

Robert Fraczkiewicz, product manager for ADMET Predictor, added: “With this new release, we’ve added features that our users have requested, and we have extended the number of predicted properties to include a variety of toxicity models. New features include structure depiction – i.e., providing the user with a drawing of each molecule in a data set. Chemists think in terms of these structure diagrams, and now ADMET Predictor provides them with the most useful representation for their molecules. We have also added a number of new molecular descriptors, which are numbers that quantify different characteristics of molecules, and which serve as the inputs to our artificial neural network ensemble predictive models. Finally, we have added new predicted properties, including logD (the logarithm of the partition coefficient between water and octanol at a user-specified pH), as well as six toxicity models derived from databases that were released earlier this year by the U.S. Environmental Protection Agency and the U.S. Food and Drug Administration.”