取代芳烃与七种生物毒性的定量构效关系  

QSAR study on the acute toxicities of substituted aromatic hydrocarbon to seven kinds of organisms based on tneir molecular connectivity index

作　　者：舒元梯[1] 

机构地区：[1]乐山师范学院化学与生命科学学院,四川乐山614000

出　　处：《西南民族大学学报（自然科学版）》2008年第6期1199-1204,共6页Journal of Southwest Minzu University(Natural Science Edition)

摘　　要：根据成键原子的结构特征定义了一种原子点价公式,构建了取代芳烃的分子连接性指数.研究了取代芳烃对斜生栅列藻急性毒性,日本长腿蛙蝌蚪急性毒性、绿藻急性毒性、大型蚤毒性、斑马鱼毒性,隆线蚤毒性和金鱼毒性等七项生物活性分别同取代芳烃分子连接性指数的相关性.结果表明:分子连接性指数具有良好的结构选择性和性质相关性,可用于预测其它取代芳烃的生物活性.This paper,baded on the elemental electronegative,bonding electron number and bonded hydrogen atomic number,develops a new molecular topological index for research on creaturely activity for substituted arene. With this,the linear relationship between creaturely activity for substituted arene and the molecular topological index is obtained. It is concluded that the indexes are near good structure selectivity and creaturely activity relativity. It can be extended to predict the creaturely activity of other Substituted arene.

关 键 词：分子连接性指故 生物活性 取代芳烃 斜生栅列藻 绿藻 蝌蚪 

分 类 号：O6-051[理学—化学]