卤代芳烃对水生生物急性毒性的定量构效关系研究

QSAR studies on the acute toxicities of halogenated aromatic hydrocarbon to aquatic organisms

提出表征成键原子生物活性的点价 βi,由 βi 建构新的价连接性指数nH ,并用 0阶指数0 H ,1价指数1H研究了卤代芳烃 (含F、Cl、Br、OH、NH2 、NO2 和烷基等 )对发光菌、呆鲦鱼、斜生栅列藻的急性毒性 ,给出了相关方程。结果表明 ,新方法计算简单 ,应用方便 。

A novel QSAR based on connectivity index nH, which is derived from β i,a characteristic value of bioactivity for atom i,is developed to predict the acute toxicities of halogenated aromatic hydrocarbons to aquatic organisms.It is demonstrated that this method is easy to compute and convenient in application.The estimated results are all better than the relevant achievement of literatures.