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.