Simulations Plus Releases ADMET Predictor(™) 2.0

Software: ADMET Predictor®
Division: Simulations Plus

Simulations Plus, Inc. (AMEX: SLP), a leading provider of simulation and modeling software for pharmaceutical discovery and development, announced that it has released version 2.0 of its best-in-class ADMET Predictor(TM) software product. ADMET Predictor is a software program that takes molecular structures as input, and generates predictions for approximately 50 different critical ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) properties. Because these predictions can be made in the earliest stages of drug discovery, the considered molecules need exist only as chemical structure drawings in a computer. Thus, scientists can identify drug candidates that are likely to fail before they are synthesized, avoiding the time and cost of making and testing them, and allowing scarce resources to be focused on those compounds that are more likely to succeed.

Dr. Robert Fraczkiewicz, ADMET Predictor product manager and Team Leader for ADMET Cheminformatics for Simulations Plus, said: “This version is the culmination of months of work to integrate ADMET Predictor with the superior modeling capabilities of our ADMET Modeler software. ADMET Modeler generates new predictive models from experimental data and is used to build all models in ADMET Predictor. Integrating both into a single program provides pharmaceutical research scientists significantly greater user convenience and modeling power. As part of this upgrade, we have added new functionality to ADMET Modeler to provide new predictive modeling methods, including the most recent developments in applied mathematics, while also improving a number of important aspects of the user interface.”

Dr. Fraczkiewicz continued: “The integration of ADMET Modeler into ADMET Predictor means that users can now load a file of molecular structures along with a measured property for each of them, execute a few mouse clicks, and generate a series of sophisticated models in as little as seconds. This added modeling capability is important to research scientists because it means that models for properties unique to their research programs become an integral part of their version of ADMET Predictor. The program automates many decisions that used to require the tedious hands-on attention of an experienced modeler, so that even a beginner can create very powerful predictive models with less than an hour of instruction. Of course, all the advanced options are user accessible allowing complete flexibility that will appeal to experienced modelers as well. Once a model is built, it takes only seconds to add it to ADMET Predictor’s array of advanced models to make it available for all users in the customer’s domain.”

Mr. Ron Creeley, vice president of marketing and sales for Simulations Plus, added: “We have combined ADMET Modeler and ADMET Predictor into a single package because ADMET Modeler was designed from the start to work with ADMET Predictor. Now both programs have been integrated into a single, powerful package for even greater user convenience. We believe this will enhance the appeal of ADMET Predictor in its competitive marketplace.”