卤代苯的拓扑指数及毒性构—效关系

Quantitative Molceular Structure-activity Relationship of Topological Index and Toxicity for Halogenated Benzene

根据分子拓扑指数理论，提出了表征卤代苯结构的新拓扑指数XIZ和YZ，并用它们研究了卤代苯化合物对生物的毒性，建立了相对应的定量结构—毒性相关方程，研究结果表明：相关性能良好，标准偏差小，为该类化学品的环境危险性评价提供了依据。

Based on molecular connectivity indces, this paper proposed two new topoloical index XIZ and YZ,quantitaive structure-toxicity relationship(QSTRs) equations were established to estimate the light-emitting toxicities and Na+ -K+ adenosine triposphases(ATPase) activities of halogenated benzene. The fitting and predicted toxic data are close to the observed values of halognated benzene.