Progress in computational methods for the prediction of ADMET properties.
This review surveys recent progress in the development and application of computational techniques for the prediction of absorption, distribution, metabolism, elimination and toxicity (ADMET) properties, including intestinal permeability, blood-brain barrier penetration, active transport/efflux, aqueous solubility, metabolism and toxicity. While much effort continues to be expended in this field with some success on existing datasets, perhaps the most pressing need at this time is for larger, high-quality sets of experimental data to provide a sound basis for model building.
Clark
David E
DE
Argenta Discovery Ltd, 8/9 Spire Green Centre, Flex Meadow, Harlow, Essex, CM19 5TR, UK. david.clark@argentadiscovery.com
Grootenhuis
Peter D J
PD
D000042:Absorption; D000818:Animals; D019295:Computational Biology / Q000379:methods* / Q000639:trends*; D064420:Drug-Related Side Effects and Adverse Reactions; D005544:Forecasting; D006801:Humans; D004364:Pharmaceutical Preparations / Q000737:chemistry / Q000378:metabolism*; D010599:Pharmacokinetics; D012984:Software / Q000639:trends
D004364:Pharmaceutical Preparations