因子分析法在氯代羟基苯甲醛定量结构-气相色谱保留值相关分析中的应用

Application of Factor Analysis in Quantitative Structure-Retention Relationship Analysis of Chlorinated Hydroxybenazldehydes

通过因子分析法对25个氯代羟基苯甲醛的色谱保留行为与分子结构的关系作了探讨,并将化合物分成了主次两类。对两类化合物的保留值与辛醇-水分配系数及官能团位置指数分别进行了线性拟合,结果表明,它们的色谱保留值与其分子结构之间有着良好的线性关系。

The relationship between quantitative structure and gas chromatographic retention value of chlorinated hydroxybenzaldehydes is discussed by factor analysis. The compounds are divided into main species and secondary species. The linear fit of retention values with octanol-water partition coefficient(logKow) and functional group site index(Sox) shows a rather good correlation between the GC retention values and the molecular structure of the compounds.