FDA and Simulations Plus have signed a five-year research collaboration agreement to develop Quantitative Structure-Activity Relationship (QSAR) toxicity models for FDA regulatory and research applications. The models are expected to provide decision support information on the safety of substances in both pre- and postmarket evaluations by the FDA’s Center for Food Safety and Applied Nutrition.
FDA will provide nonproprietary toxicology data for evaluation on endpoints like carcinogenicity, developmental toxicity, genetic toxicity, and reproductive toxicity. Simulations Plus’ ADMET Predictor™ software and ADMET Modeler™ module will be used to build and validate the predictive QSAR models.
Under the terms of the agreement, Simulations Plus will be able to incorporate these models into its ADMET Predictor. It also allows Simulations Plus to commercialize the QSAR models developed under this collaboration.
ADMET Predictor not only estimates a number of vital ADMET properties but can also build predictive models of new properties from user data via the ADMET Modeler module. The program predictions can be used by a flexible screening filter ADMET Risk, which can include any combination of predicted properties.
Simulations Plus’ software is used by major pharmaceutical and biotechnology companies for drug research and in the study of environmental toxicology. The firm also provides a productivity tool called Abbreviate! for PCs and the Apple iPhone as well as an educational software series for science students in middle and high school known as FutureLab™.