Building predictive ADMET models for early decisions in drug discovery |
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Authors: | Penzotti Julie E Landrum Gregory A Putta Santosh |
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Institution: | Rational Discovery LLC, 555 Bryant Street #467, Palo Alto, CA 94301, USA. penzotti@rationaldiscovery.com |
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Abstract: | This review discusses the current challenges facing researchers developing computational models to predict absorption, distribution, metabolism, excretion and toxicity (ADMET) for early drug discovery. The strengths and weaknesses of different modeling approaches are reviewed and a survey of recent strategies to model several key ADMET parameters, including intestinal permeability, blood-brain barrier penetration, metabolism, bioavailability and drug toxicities, is presented. |
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