摘要
应用物理化学参数和结构参数，对多环芳烃的致癌活性进行Ｆｉｓｈｅｒ判别分析。结果表明现有的物理化学参数在化合物致癌活性ＱＳＡＲ研究中，存在着化学类别上的局限性。就判别效率而言，单独应用结构参数或综合应用两类参数所建立的判别方程接近ＣＡＳＥ系统，但存在着相当大的改进余地。现有的物理化学参数是否适用于其它类别化合物致癌活性的ＱＳＡＲ分析，有待进一步研究。
The Fisher discriminant analysis of structure carcinogenicity relationship of polycyclic aromatic hydrocarbons was carried out using physiochemical parameters and/or structure parameters.The results indicated that available physiochemical parameters could be applied only specific chemical class such as N nitroso compounds.There is no significant difference of discriminant performance between the optimized CASE and this study using structure parameters alone or combined with physiochemical ones.It is necessary to further study whether these physiochemical parameters are suitable for other chemical classes or not. \ \
出处
《卫生毒理学杂志》
CSCD
1997年第2期71-74,136,共5页
Journal of Health Toxicology
关键词
多环芳烃
致癌活性
构效关系
判别分析
polycyclic aromatic hydrocarbons
carcinogenicity
structure activity relationship
discriminant analysis.
