自相关拓扑指数与有机物生物活性的定量关系

QUANTITATIVE RELATIONSHIP BETWEEN THE BIOACTIVITIES OF ORGANIC POLLUTANTS AND MOLECULAR AUTOCORRELATION TOPOLOGICAL DESCRIPTORS

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。

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.