以一种拟原子的方式处理多氯代二苯并呋喃 (PCDFs)异构体中的苯环 ,将PCDFs异构体中的原子或基团分为 3类 ,即 :氯原子 (Cl) (记为“1”) ,氧原子 (O) (记为“2”)及拟原子 (B) (记为“3”)。在烷烃分子距边矢量的基础上 ,提出一种以基团为基准的分子距离边数矢量 (μ矢量 ) ,借助多元线性回归方法分别建立了多氯代二苯并呋喃在不同色谱柱上的色谱保留指数与表征其结构的 μ矢量间的定量结构 色谱保留关系 (QSRR)相关模型。各样本总体所建模型的相关系数均在 0 98以上。为检验模型的稳定性和预测能力 ,还进行了留一法交互校验 ,交互检验的相关系数均在 0 97以上。结果表明 :所提出的新的分子距离边数矢量具有结构选择性高、性质相关性好以及计算简便等优点。所建QSRR模型复相关系数高、稳定性好、预测能力强 The benzene rings in isomers of polychlorinated dibenzofurans (PCDFs) are treated as a quasi-atom, and the atoms or groups in the isomers of PCDFs are classified into three classes: chlorine (Cl) (Cl (O) (denoted as “2”) and quasi-atomic (B) (marked as “3”). Based on the distance vector of alkane molecules, a group-based molecular distance vector (μ-vector) was proposed. Based on the multiple linear regression method, polychlorinated dibenzofurans Quantitative Structure Chromatographic Retention Relationship (QSRR) Correlation Model between Chromatographic Retention Index and μ-Vector Characterizing Its Structure. The correlation coefficients of the models built by each sample are above 098. In order to test the stability and predictive ability of the model, we also carried out the one-way interaction verification, and the correlation coefficients of interaction test were all above 0 97. The results show that the new proposed molecular distance edge vector has the advantages of high structure selectivity, good property correlation and simple calculation. The constructed QSRR model has high complex correlation coefficient, good stability and strong predictive ability