Table 2.
Model | # of variables | Optimum # of PLS components | Training set | Test set | |||
---|---|---|---|---|---|---|---|
R t 2 | RMSET | RMSECV | R p 2 | RMSEP | |||
PLS | 10493 | 8 | 0.87 | 5.95 | 16.63 | 0.34 | 12.70 |
EN-PLS | 309 | 7 | 0.93 | 4.34 | 6.93 | 0.55 | 11.66 |
R 2 is correlation coefficient of regression between the predicted and experimental activities of the extracts (t refers to training set and p refers to the test set); RMSET is the fitting error of the model in the training; RMSECV is the Root Mean Squared Errors of Cross-Validation; RMSEP is Root Mean Squared Errors of Prediction of the test set; q2 is the cross-validated R2 which is calculated by the equation: q2 = 1 − ∑(Ypred − Yact)2/∑(Yact − Ymean)2.