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huqionghhkk木虫 (小有名气)
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[求助]
翻译一段（药物化学）谢谢！
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We recently analyzed a large compound collection in 100 parallel protein-binding assays (48) and found both proteinbinding frequencies and specificities are increased among compounds having intermediate stereochemical complexity. Here,we extend analysis of the same compounds to physicochemical properties (6, 7, 16, 54) and shape-based descriptors (27, 29), revealing additional similarities and differences between sets. We use principal component analysis (PCA) (55) of chemically intuitive properties to analyze sources of variation among the sets. Different descriptors report different aspects of chemical structure (36), and we aim to illustrate for synthetic chemists how quantitative relationships can be reconciled with chemical intuition. |
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