title: Knowledge-based approaches in the design and selection of compound libraries for drug discovery.
abstract: In the past decade, the pharmaceutical industry has realized the increasing significance of impacting the early phase hit-to-lead development in the drug discovery process. In particular, knowledge-based approaches emerged and evolved to address a multitude of issues such as absorption, distribution, metabolism and excretion (ADME), potency, toxicity and overall drugability. Each of these approaches seeks to bring together all relevant pieces of information and create a knowledge-oriented process to deploy such information in drug discovery. This review focuses on work relating to drugability, which aims at obtaining hits (or leads) that have enhanced likelihoods of leading to successful clinical candidates by medicinal chemistry efforts. The period covered in this review is from 1997 (since the publication of Lipinski's rule of 5) to March 2002.
authors.affiliation: Amgen Inc, Small Molecule Drug Discovery, 1 Amgen Center Drive, Thousand Oaks, CA 91320, USA. visv@amgen.com
authors.forename: Vellarkad N
authors.initials: VN
authors.lastname: Viswanadhan
authors.forename: Chenera
authors.initials: C
authors.lastname: Balan
authors.forename: Christopher
authors.initials: C
authors.lastname: Hulme
authors.forename: Janet C
authors.initials: JC
authors.lastname: Cheetham
authors.forename: Yaxiong
authors.initials: Y
authors.lastname: Sun
mesh_terms: D000818:Animals; D001185:Artificial Intelligence; D016208:Databases, Factual / Q000639:trends; D015195:Drug Design; D006801:Humans