N—亚硝基化合物致癌活性和物理化学行为相关性的研究  

QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP STUDY FOR CARCINOGENICITY AND PHYSICOCHEMICAL BEHAVIORS OF N-NITROSO CHEMICALS

作　　者：朱永平[1] 余应年[1] 陈星若[1] 

机构地区：[1]浙江医科大学病理生理学教研室

出　　处：《癌变．畸变．突变》1996年第5期283-286,共4页Carcinogenesis,Teratogenesis & Mutagenesis

摘　　要：应用Ｌｙｄｅｒｓｅｎ等方法，估算Ｎ—亚硝基化合物的监界常数和热力学参数，与其致癌活性进行Ｆｉｓｈｅｒ判别分析，正确率达８０％以上，但假阳性率偏高。经Ｒｉｄｉｔ检验，判别效率与目前国际上最佳的ＣＡＳＥ系统相比无明显差异。The Lydersen's estimation methods of physicochemical properties were studied.The discriminant analysis between the critical constants and thermodynamical parameters and carcinogenicity of N-nitroso chemicals were carried out,achieving an accuracy was higher than 80% but with high false positive results.There was no significant difference of discriminant performance between the optimized CASE and this study using Ridit analysis.

关 键 词：亚硝基化合物 致癌活性 物理化学 构效关系 

分 类 号：R730.231.1[医药卫生—肿瘤]