| QSAR | Quantitative structure-activity relationship |
| AUC | Area under the ROC curve |
| PPV | Positive predictive value |
| RMSD | Root-mean-square deviation |
| BA | Balanced accuracy |
| MMCE | Mean misclassification error |
| TPR | True positive rate |
| TNR | True negative rate |
| KDEOS | Kernel Density Estimation Outlier Score |
| INFLO | Influenced Outlierness |
| MAO-A | Monoamine oxidase A |
| RF | Random forests |
| SVM | Support vector machines |
| BART | Bayesian additive regression trees |