Prediction of retention indices of some components from Blood Orange Fruit

Quantitative structure- retention relationship ( QSRR) study of the retention indices of 45 components of Blood Orange Fruit was performed by using called the molecular electronegativity- distance vector ( MEDV) .Through multiple linear regression ( MLR) and stepwise regression ( SMR) , a prediction model of gas chromatography retention indices ( RI) of the compounds in was obtained.The multiple correlation coefficient ( R) of the model was 0.947, and the standard deviation ( SD) was 105.039.Then the model was evaluated by performing the cross validation with the leave- one- out ( LOO) procedure and the cross validation multiple correlation coefficient ( RCV) was 0.923, and the standard deviation ( SDCV) was 126.394.The results showed that the model had good predictive ability and stability.