In silico ADME/Tox: the state of the art

Abstract

The field of computational (in silico) ADME/Tox (absorption, distribution, metabolism, excretion, and toxicity) is receiving increased attention due a better appreciation that these molecular properties should be considered earlier in the drug discovery process. This report briefly reviews selected papers presented at the 220th National Meeting of the American Chemical Society, Washington, DC, 20-24 August, 2000, and describes the types of ADME/Tox computational models presented, the results obtained, and relevant recent publications that coincide with the work reported.