Structural Characterization of Some Components of Peucedanum Decursivum Maxim and the Estimation and Prediction of Their Retention Time

Quantitative structure—activity relationship (QSAR) studies of the retention time of 62 components of Peucedanum decursivum Maxim were performed,using molecular electronegativity—distance vector(MEDV).Through multiple linear regression (MLR),the correlation coefficient 0.958 is achievesd.We select 7 vectors to build the model through the method of stepwise multiple regression (SMR),the correlation coefficient of which is 0.957.Then the model is evaluated by performing the cross validation with the leave-one-out (LOO) procedure to give R_(CV)=0.933.So we can get the conclusion that the stability and predictability of the model is good.