๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Computational methods in molecular diversity and combinatorial chemistry

โœ Scribed by Mark G Bures; Yvonne C Martin

Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
492 KB
Volume
2
Category
Article
ISSN
1367-5931

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โœฆ Synopsis

Molecular diversity, combinatorial chemistry and automated synthesis are helping usher in a new age in medicinal chemistry. The tools and practices of computational chemistry and molecular modeling are rising to the challenges and opportunities presented by the current trends in drug discovery and design. Recent advances include a number of new and meaningful measures of molecular diversity and the use of genetic algorithms to help design diverse libraries.

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New approaches for combinatorial library design and molecular diversity analysis have been developed by extending previous work from the fields of quantitative structure-activity relationship, computational chemistry, and chemical information. Recent work has begun to address design efficiency and v