摘要
通过实验,测定了三种取代苯酚的急性毒性24h—-logIC50,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-logIC50对(TSA)2和△Hf两参数的QSAR预测模型,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。
The 24h—-logIC50 values of three substituted phenols were measured by experiment.11 types of topological descriptors were analyses by component analysis and regression analysis and a QSAR model consisting of(TSA)2 and △Hf was obtained.The model tells us that the toxicity of substituted phenols is mostly determined by molecular chemical activity and the stability of molecular structure.
出处
《江西化工》
2010年第3期79-83,共5页
Jiangxi Chemical Industry
