【摘要】 用半经验的PM3方法,对嘧啶类衍生物的定量构效关系(QSAR)进行了研究,结果显示:苯环上总的净电荷Q总和嘧啶环上的净电荷C4′,对嘧啶类衍生物的抑制活性有很大影响,回归分析得到了相关性好的相关模型(R=0.9445).更多还原

【Abstract】 The quantitative structure-activity relationship of pyrimidine derivatives has been studied by PM3 method.The result of the research shows that the total sum of the atomic charge Q on the benzene ring and the atomic charge C4′ on the pyrimidine ring have great effect on the inhibitory effects of pyrimidine derivatives.The correlative model(R=0.9445)has been proved in regression analysis.更多还原