Integrating cheminformatic analysis in combinatorial chemistry.
Cheminformatic analysis of drug-related compound databases has enabled the identification of the physicochemical properties that have the greatest influence on determining the drug-like characteristics of a compound. This enables definition of the parameters and profiles used in constructing a high-quality combinatorial library. Awareness of the multi-objective nature of combinatorial library construction has also given rise to techniques designed to enhance the likelihood of including the best compounds in a given library.
Blake
James F
JF
Array BioPharma Inc., 3200 Walnut Street, Boulder, Colorado 80301, USA. jim.blake@arraybiopharma.com
D020650:Combinatorial Chemistry Techniques / Q000379:methods*; D016208:Databases, Factual; D015195:Drug Design; D004353:Drug Evaluation, Preclinical / Q000379:methods*; D048088:Informatics; D019151:Peptide Library
D019151:Peptide Library