取代芳烃对斜生栅列藻急性毒性的相关性研究

Correlativity Research on Acute Toxicity of Substituted Aromatic Compounds to Scenedesmus Obliquus

定义表征原子生物活性的点价为Ei,并由Ei 建立取代芳烃的自相关拓扑指数F(t) .其中F(1)与取代芳烃对斜生栅列藻的急性毒性具有良好的相关性 ,并且计算简单 ,使用方便 。

A new autocorrelation topological index F(t) based on the E i which is the bioactivity valence of atom i ,is derived in this paper. F(1) among F(t) is highly correlated with the acute toxicity of substituted aromatic compounds to the scenedesmus obliquus.It has been demonstrated that the method possesses the advantage of easy computation.The predicting results with F(1) are also satisfactory.