| CoMFA方法用于α-氧代环十二烷基磺酰胺的QSAR研究 |
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| 引用本文： | 谢桂荣,汪晓平,王道全,苏阳,周家驹.CoMFA方法用于α-氧代环十二烷基磺酰胺的QSAR研究[J].农药学学报,1999,1(2):17-24. |
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| 作者姓名： | 谢桂荣 汪晓平 王道全 苏阳 周家驹 |
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| 作者单位： | 1.中国科学院化工冶金所计算机化学实验室,北京100080 |
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| 摘 要： | 本文将比较分子场分析 (Comparative Molecular Field Analysis)方法 ,即 Co MFA方法用于 α-氧代环十二烷基磺酰胺 QSAR研究 ,建立了较好的模型。根据模型的立体场和静电场要求设计了一批化合物 ,其中多数化合物预报的杀菌活性较高 ,为进一步合成和筛选该类化合物提供了依据。
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| 关 键 词： | QSAR研究 α-氧代环十二烷基磺酰胺 杀菌活性 比较分子场分析(CoMFA) |
QSAR STUDY OF αOXOCYCLODODECYL SULPHONAMIDES BY CoMFA |
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| Xie Gui-rong,Wang Xiao-ping,Wang Dao-quan,Su Yang and Zhou Jia-ju.QSAR STUDY OF αOXOCYCLODODECYL SULPHONAMIDES BY CoMFA[J].Chinese Journal of Pesticide Science,1999,1(2):17-24. |
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| Authors: | Xie Gui-rong Wang Xiao-ping Wang Dao-quan Su Yang and Zhou Jia-ju |
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| Institution: | 1.Laboratory of Computer Chemistry2.Chinese Academy of Science Beijing |
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| Abstract: | CoMFA (Comparative Molecular Field Analysis) was used to study the QSAR of α--oxocyclododecylsulphonamides and a good model established. According to the steric field and electrostatic field of the model, some compounds which have high predicted activity were forecast, and they may be employed as reference for further study. |
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