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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。
In this paper, comparative molecular field analysis (Comparative Molecular Field Analysis) method, that Co MFA method for a-oxocyclododecylsulfonamide QSAR study established a good model. A series of compounds were designed according to the three-dimensional field and electrostatic field of the model. Most of the compounds were predicted to have high bactericidal activity, which provided a basis for further synthesis and screening of these compounds.