XR类多药耐药调节剂的定量构效关系研究  

Research on Quantitative Structure-activity Relationship(QSAR)of XR Multi-resistant Modifier

作　　者：纪彩虹[1] 展惠英[2] 

机构地区：[1]兰州文理学院学报编辑部,甘肃兰州730010 [2]兰州文理学院化工学院,甘肃兰州730010

出　　处：《宁夏大学学报（自然科学版）》2014年第4期347-351,共5页Journal of Ningxia University(Natural Science Edition)

基　　金：国家自然科学基金资助项目(NSFC 41363008)

摘　　要：运用启发式(HM)方法建立了40个XR类化合物的结构与calcein-AM分析中的活性的线性模型,模型预测得到的判定系数R2=0.882 7.用径向基函数神经网络(RBFNN)方法建立了非线性模型,模型预测得到的判定系数R2=0.927 6.对2种方法所得的结果进行比较,RBFNN模型的预测结果更为精确,因此更适合用来建立定量构效关系研究模型.40 XR type compounds structure and active linear models in calcein AM analysis were built through heuristic method.The predicted model coefficient of determination is R2=0.882 7.The nonlinear model was built through the method of radial basis function neural network （RBFNN）,and the predicted model coefficient of determination is R2=0.927 6.Comparing these two methods,the predicted outcome of RBFNN model is more precise and more suitable for building the Quantitative structure-activity relationship research model.

关 键 词：多药耐药抑制剂 定量构效关系 

分 类 号：O641[理学—物理化学]