• 关键词：

• 基金项目：国家自然科学基金

• 黄庆国

• 王晓栋

• 王连生

• 摘要：采用自相关拓扑指数作为分子描述符,研究有机污染物的遗传毒性和急性毒性与分子结构的定量关系,建立了良好的构效关系方程。

• Abstract：Autocorrelation topological indexes were used as molecular descriptors, based on which the quantitative relations between the geotoxicity as well as acute-toxicity of organic pollutants and the molecular structures were studied. Significant quantitative structure-activity models were established.

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