应用分子电性距离矢量(MEDV)对鬼臼脂素衍生物进行结构表征和抗肿瘤活性的活性预测,通过逐步回归(SMR)方法建立了MEDV 与活性之间的定量模型,取得了良好的结果,其模型相关系数为R=0.949;继以留一法(Leave-one-out,LOO)进行交互检验,复相关系数为R~2=0.619,说明定量相关模型具有良好的稳定性和预测能力。 The structural characterization and antitumor activity prediction of podophyllotoxin derivatives were carried out by using molecular electrical distance vector (MEDV). The quantitative model between MEDV and activity was established by stepwise regression (SMR) and good results were obtained , The correlation coefficient of the model was R = 0.949. After the leave-one-out (LOO) interaction test, the complex correlation coefficient was R ~ 2 = 0.619, indicating that the quantitative correlation model has good stability and predictive ability .