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PubMed · 9667844

Computational approaches for combinatorial library design and molecular diversity analysis.

J M Blaney·E J Martin
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Abstract

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 validation of descriptors for combinatorial library design.

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Chemistry, OrganicIndicators and ReagentsOrganic Chemistry PhenomenaStructure-Activity RelationshipJournal ArticleReview

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J M Blaney, E J Martin. 1997. Computational approaches for combinatorial library design and molecular diversity analysis.. https://doi.org/10.1016/s1367-5931(97)80108-1

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