ADMET Predictor

PharmaDirections uses a variety of software packages in their support of drug discovery and preclinical program.  ADMET Predictor is a computer software system for predictive modeling of Absorption, Distribution, Metabolism, Elimination, and Toxicity of chemical substances in the human body. The software is available from Simulations Plus, Inc. PharmaDirections licenses ADMET Predictor to use as part of their support of drug discovery and lead optimization programs. ADMET predictions are often used in conjunction with the GastroPlus program which is used internally by our team of pharmacokinetic, formulation development and toxicology experts to explore the optimum ways to design and deliver new chemical entities.

What does it predict?

• Physico-Chemical and Biopharmaceutical Parameters
• pKa (ionization constants a multiprotic model)
• Human effective permeability in jejunum (Peff)
• MDCK apparent permeability (Papp)
• Solubility
• logP
• logD
• Blood-brain barrier permeation
• Likely sites of metabolic attack
• Intrinsic clearance
• Toxicity Risks
• Fraction absorbed in human
• Optimal dose in human
• Global ADMET Risk