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™.
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.”