Simulations Plus Releases Major Upgrade to ADMET Predictor™ Software
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Simulations Plus, Inc. has announced that it has released a major upgrade to its ADMET Predictor™ software for predicting properties of molecules from only their structures.
Dr. Robert Fraczkiewicz, team leader for ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) Cheminformatics for Simulations Plus, said: “In this upgrade, we’ve released the Enslein Metabolism Module™ that we’ve been working on for almost a year with Kurt Enslein of Enslein Research, Inc., in Rochester, NY. This module predicts parameters that allow estimating the rate of the most common type of metabolism for drugs, known as hydroxylation.”
“While there are some software programs that purport to predict whether or not a particular molecule will be metabolized by a certain enzyme, we believe this is the first prediction tool that provides the ability to predict how fast different compounds will be metabolized by five key CYP P450 enzymes that govern a large fraction of all human metabolism,” Dr. Frackiewicz continued.
