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【答案】应助回帖
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sltmac(金币+2): 3Q 2011-06-29 18:18:16
sltmac(金币+15, 翻译EPI+1): 谢谢应助，欢迎常来~ 2011-07-02 10:05:09
Comparative analyses of compound sets usually use computed properties (19, 22, 23) or historical assay results (24, 25). 化合物集合的对比分析通常利用计算的特性或以往测定的结果。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.化合物集合特性的定量化和图像化方面已经取得显著进展，包括把结构与形状的直觉概念联系起来的方法，以及描述集合间关系的相似性融合方法。
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). 此外，化合物的相似性和差异分析持续取得进展，包括使用香农熵度量化合物中的结构信息以及在试剂选择、数据库相似性搜索和支架多样性方面的工作。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).基于熵的方法也被用于区分单靶标和多靶标化合物以及确定常见抑制剂的集合中基于ki曲线的靶标间定量关系的分析数据。 |
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