Building Compound Archives For The Future

Richard Lewis, Joakim Deheuvels,Peter Ertl,Bernard Pirard,Finton Sirockin

MOLECULAR INFORMATICS（2016）

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摘要

Will the targets of the future be covered by the compound libraries of today? This communication will cover a critical review of past strategies before turning to a new measure of diversity, protein pockets. A fingerprint descriptor for pockets will be described.

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关键词

Physicochemical properties,Diversity,Protein pocket analysis

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