采用本实验室新近提出的新型广义相关指数表征41个烃基酚类环境毒物结构并与其活性建立定量构效相关模型.采用逐步回归对变量进行筛选后,运用多元线性回归建模的复相关系数(Rcum)、交互校验的复相关系数(Qcum)和外部样本检验复相关系数(Qext)分别为Rcum=0.967、Qcum=0.931与Qext=0.944,优于文献中的报道值.模型具有良好的稳定性和预测能力,表明此类新型广义相关指数能较好地表征该类分子结构信息,值得进一步推广应用。 A new generalized correlation index proposed by our laboratory was used to characterize the structures of 41 alkylphenols and establish a quantitative structure-activity-related model.With stepwise regression, the variables were screened and the multiple correlation coefficients Rcum), and the correlation coefficient (Qext) between Qcum and Qcxt for cross validation was Rcum = 0.967, Qcum = 0.931 and Qext = 0.944, respectively, which was better than the reported values ​​in the literature.The model has good stability It shows that the new generalized correlation index can better characterize the molecular structure information of this kind and deserves further popularization and application.