摘要
以双区理论为基础 ,提出了多环芳烃的致癌性与其二阶分子连接性指数之间的定量关系方程 ,并利用该方程计算了 72个多环芳烃的致癌性 。
An equation,which based on di-region theory,quantitative relation between carcinogenicity and second order molecular connectivity indices( 2 X )of polycyclic aromatic compounds (PAH S) was put formard and used to estimate the carcinogenicity of 72 PAH S.The results obtained show little differcnce with the experimental values.
基金
荆州师范学院学生科研项目
关键词
多环芳烃
双区理论
致癌性
连接性指数
拓扑指数
polycyclic aromatic hydrocarbons(PAH S)
carcinogenicity
di-region theory
molecular connectivity indices
