Simulations Plus Releases ADMET Predictor™ 6.0

Keywords: metabolism, molecular property prediction program, molecular property prediction software, molecule drawing tool
Software: ADMET Predictor®
Division: PBPK

Simulations Plus, Inc. (NASDAQ: SLP), a leading provider of simulation and modeling software for pharmaceutical discovery and development, announced today the release of ADMET Predictor™ Version 6.0 with an impressive set of expanded and powerful capabilities for molecular property predictions from structure.

ADMET Predictor 6.0 now includes:

  • MedChem Designer ™, an advanced molecule drawing tool, integrated into the program
  • Graphical user interface improvements for greater user convenience
  • Additional predictive models, including additional metabolism and metabolic site models
  • Expanded multidimensional graphics output
  • Enhanced capabilities for exporting results

Dr. Robert Fraczkiewicz, team leader for ADMET cheminformatics at Simulations Plus, said: “ADMET Predictor has been evolving for more than 11 years, beginning as two products – QMPRPlus™ for property predictions and QMPRchitect™ for building predictive models – that were then combined, with QMPRchitect becoming the ADMET Modeler™ module in ADMET Predictor. Having steadily grown in the number and types of predictive models that it contains, ADMET Predictor continues to stand above the competition in predictive accuracy and speed based on published peer-reviewed comparisons reported in scientific journals. With Version 6.0, we have extended the predictive capabilities of ADMET Predictor to new areas, including additional models for metabolism and toxicity, as well as to predicting sites of metabolic attack and the metabolites produced. Predicting which parts of a molecule are likely to be attacked by the more common metabolic enzymes can help chemists redesign their molecules to reduce excessive break down in the body.”

Walt Woltosz , chairman and chief executive officer of Simulations Plus, added, “ADMET Predictor has enjoyed best-in-class status for a number of years and continues to do so. We’re excited about the added convenience, expanded property set, and further-improved predictive accuracy of ADMET Predictor 6.0. We used this new version in our NCE (new chemical entity) project to design molecules that inhibit the Plasmodium falciparum malaria parasite and achieved active molecules the first time out.”