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Can more intelligent virtual library design help save combinatorial chemistry?

April 26, 2017Chemistry combinatorial compound compounds design help intelligent library virtual

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Can more intelligent virtual library design help save combinatorial chemistry?

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Compound libraries are expensive to synthesise and screen. In contrast, virtual libraries are comparatively easily generated and screened in silico. Different methods of designing and evaluating virtual libraries and the impact that these can have upon the biological hit rate of subsequently synthesised real compound libraries will be discussed.