| MLR_cfs | Multiple Linear regression on correlation based features selected |
| SVM_cfs | Support Vector Machine on correlation based features selected |
| GBM | Gradient Boosting Model |
| RF | Random Forest: tR- Retention Time |
| CFS | Correlation based feature Selection |
| RFE | Recursive Feature Elimination |
| AD | Applicability Domain |
| RMSE | Root mean Squared Error |
| CV | Cross Validation |
| R2 | Coefficient of Correlation |
| LC | Liquid Chromatography |