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取代芳香族化合物生物活性的拓扑学
引用本文:堵锡华.取代芳香族化合物生物活性的拓扑学[J].南昌大学学报(理科版),2005,29(2):155-158,162.
作者姓名:堵锡华
作者单位:徐州教育学院,化学系,徐州,221006
基金项目:江苏省高校自然科学研究项目(02KJB150008),徐州市科技情报研究计划项目(200377)
摘    要:定义并计算了取代芳香族化合物的价连接性指数^mH,研究了取代芳香族化合物结构与其对发光菌、大型蚤、呆鲦鱼生物活性参数的关系,由化合物对水生生物的急性毒性与^mH的线性回归方程得出的预测值与实验测定值之间能较好地吻合。

关 键 词:价连接性指数  取代芳烃  发光菌  大型蚤  呆鲦鱼
文章编号:1006-0464(2005)02-0155-04

THE CONNECTIVITY TOPOLOGICAL RESEARCH ON THE BIOACTIVITY OF SUBSTITUTED AROMATIC COMPOUNDS
DU Xi-hua.THE CONNECTIVITY TOPOLOGICAL RESEARCH ON THE BIOACTIVITY OF SUBSTITUTED AROMATIC COMPOUNDS[J].Journal of Nanchang University(Natural Science),2005,29(2):155-158,162.
Authors:DU Xi-hua
Abstract:Valence connectivity index ~mH of substituted aromatic compounds is defined and calculated,and it was used to research the relationship between structure and bioactivity to photobacterium phosphoreum,Daphnia magna,pimephales promelas for some substituted aromatic compounds.The experimental and estimated values from the QSAR equations,the regression models of ~mH and acute toxicities of substituted aromatic compounds to aquatic organisms proposed ,are agreeable to experimental ones.
Keywords:valence connectivity index  substituted aromatic compounds  photobacterium phosphoreum  daphnia magna  pimephales promelas
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