... building activity relationship 构效关系 Structure and activity relationship 蛋白结构与功能分析 constituent - activity relationship 组效关系 ...
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The structure and activity relationship is discussed from the electronic structure of these compounds. This work can provide theoretical guidance to predict the activity and design such compounds.
本文运用量子化学、分子力学、统计分析等方法建立双水杨醛缩乙二胺类锰配合物的定量构效关系模型,从电子结构上探讨此类化合物的结构与活性关系,从而为该类化合物的活性预测、设计合成提供理论指导。
参考来源 - 双水杨醛缩二胺类锰配合物活性理论研究·2,447,543篇论文数据，部分数据来源于NoteExpress
It was found that there are remarkable correlation relationships between some indices of electronic structure and the toxicity by the studies of structure-activity relationship.
通过构效关系研究，发现某些电子结构指数与毒性之间存在较好的相关关系。
To know the abzyme mechanism of soman hydrolysis, the structure-activity relationship of soman and abzyme was studied.
为了解其催化水解梭曼的机制，需对其进行构效关系研究。
It is meaningful to study their structure-antioxidant activity relationship and design novel, efficient and low-toxicity antioxidant.
研究抗氧化剂的构效关系进而设计高效低毒的新型抗氧化剂分子具有十分重要的意义。
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