title: 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.
authors.affiliation: Lilly Research Laboratories, Eli Lilly and Company, Lilly Corporate Center, Indianapolis, IN 46285-0730, USA. ekins_sean@lilly.com
authors.forename: Sean
authors.initials: S
authors.lastname: Ekins
authors.forename: John
authors.initials: J
authors.lastname: Rose
mesh_terms: D001682:Biological Availability; D001812:Blood-Brain Barrier; D002463:Cell Membrane Permeability; D003198:Computer Simulation; D004337:Drug Carriers; D015195:Drug Design; D006801:Humans; D007413:Intestinal Mucosa / Q000378:metabolism; D015233:Models, Statistical; D004364:Pharmaceutical Preparations / Q000378:metabolism; D011485:Protein Binding; D021281:Quantitative Structure-Activity Relationship; D012995:Solubility
chemical_list: D004337:Drug Carriers; D004364:Pharmaceutical Preparations