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ANALYZING MOLECULAR DIVERSITY BY TOTAL PHARMACOPHORE DIVERSITY
ANALYZING MOLECULAR DIVERSITY BY TOTAL PHARMACOPHORE DIVERSITY
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机译:通过总药理学多样性分析分子多样性
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摘要
A system and method capture the three-dimensional shape and functionality of molecules by the analysis of relevant intramolecular distances to generate a short and descriptive pharmacophoric fingerprint for each molecule. These fingerprints can then be used for diversity analysis, clustering, or database searching.
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