Integrating cheminformatic analysis in combinatorial chemistry.

James F Blake

doi:10.1016/j.cbpa.2004.04.017

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Integrating cheminformatic analysis in combinatorial chemistry.

James F Blake

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Abstract

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.

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Combinatorial Chemistry Techniques Databases, Factual Drug Design Drug Evaluation, Preclinical Informatics Peptide Library Journal Article Review

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James F Blake. 2004. Integrating cheminformatic analysis in combinatorial chemistry.. https://doi.org/10.1016/j.cbpa.2004.04.017

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