3D-quantitative structure-activity relationship of insecticidal oxime-ether compounds containing sulfur(oxygen)

文献类型： 外文期刊

第一作者： Lu, AJ

作者： Lu, AJ;Huang, MZ;Chen, C;Liu, XP;Liu, ZJ;Yao, JR

作者机构：

关键词： oxime-ethers containing sulfur(oxygen);3D-QSAR;CoMFA

期刊名称：CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE （ 影响因子：0.65； 五年影响因子：0.481 ）

ISSN： 0251-0790

年卷期： 2005 年 26 卷 3 期

页码：

收录情况： SCI

摘要： The quantitative relationship between the structure of oxime-ether compounds containing sulfur (oxygen) and their insecticidal activity against leafhopper was studied by comparative molecular field analysis(CoMFA). The results showed that the contributions of. steric and electrostatic fields to the activity were 47.5% and 52.5%, respectively. The coefficient q(2) of cross validation and the relation coefficient r(2) of non cross validation for the model established by the study were 0.628 and 0.971, respectively, its F value was 133.840 and the standard deviation was 0.109. These values indicated that the model might have a good predictability. The contour maps of the model will give the basis on the structure modification.

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