Position: Home > Articles > Study on the Acute Toxicity of Substituted Phenols Compounds to Jinghang River Mixture Bacterium Based on QSAR
Journal of Anhui Agricultural Sciences
2010,38
(3)
1386-1389
基于QSAR法的取代苯酚类化合物对京杭大运河混合菌急性毒性研究
作 者：
李高金;韩宝平;钱程;秦峰
单 位：
中国矿业大学环境与测绘学院
关键词：
取代苯酚类化合物;混合菌;QSAR法;京杭大运河
摘 要：
以京杭运河秦洪桥断面河水混合菌为受体,采用细菌生长抑制试验,测定了8种取代苯酚化合物的急性毒性,得到24 h-lgIC50值;并通过对11种理化参数进行因子分析和逐步回归分析,建立了毒性指标-lgIC50对(TSA)2和△Hf的QSAR预测模型。结果表明,取代苯酚类化合物毒性的大小主要取决于分子的化学活性和分子结构的稳定性。
译 名：
Study on the Acute Toxicity of Substituted Phenols Compounds to Jinghang River Mixture Bacterium Based on QSAR
作 者：
LI Gao-jin et al(China University of Mining and Technology,Xuzhou,Jiangsu 221008)
关键词：
Substituted phenols compounds;Mixture bacterium;QSAR;JingHang River
摘 要：
The toxicity 24hlgIC50 values of eight substituted phenols were measured by experiment for the mixture bacteria in the JingHang River Qin hong qiao areas.11 types of topological descriptors were analyzed by component analysis and regression analysis and a QSAR model consisting of(TSA)2 and △Hf was obtained.The results showed that the toxicity of substituted phenols was mostly determined by molecular chemical activity and the stability of molecular structure.
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