| AD | Applicability Domain |
| ADMET | Absorption, Distribution, Metabolism, Excretion and Toxicity |
| CART | Classification and Regression Trees |
| CYP | Cytochrome P450 |
| FP | binary Fingerprints |
| ECFP | Extended Connectivity Fingerprints |
| k-NN | k-Nearest Neighbors |
| MD | classical Molecular Descriptors |
| MF | Molecular Fragment |
| N3 | N-Nearest neighbors |
| NER | Non-Error Rate |
| QSAR | Quantitative Structure-Activity Relationship |
| SMILES | Simplified Molecular Input Line Entry System |
| Sn | Sensitivity |
| Sp | Specificity |