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huqionghhkk木虫 (小有名气)
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翻译一段（药物化学）谢谢！
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Comparative analyses of compound sets usually use computed properties (19, 22, 23) or historical assay results (24, 25). Significant progress has been made quantifying and visualizing properties of compound sets (26), including methods that relate structure to intuitive notions of shape (27–29), and similarity fusion methods (30–33) that describe relationships between sets. Moreover, chemical similarity and diversity analyses continue to progress (34–37), including studies using Shannon entropy (38) as a measure of structure information among compounds (39–41), addressing reagent selection (42), database similarity searches (43), and scaffold diversity (44). Entropy-based methods have also been used on assay data to distinguish single-target compounds from those with multitarget effects (45), and to quantify relationships between targets based on Ki profiles among sets of common inhibitors (46). |
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