| DeCAF | Discrimination, Comparison, Alignment tool for 2D PHarmacophores |
| SEA | Similarity Ensemble Approach |
| USRCAT | Ultrafast Shape Recognition with CREDO Atom Types |
| CoMFA | Comparative Molecular Field Analysis |
| SMARTS | SMiles ARbitrary Target Specification |
| DUD(-E) | Directory of Useful Decoys (Enhanced) |
| MUV | Maximum Unbiased Validation |
| MACCS | Molecular Access System |
| Tc | Tanimoto coefficient |
| EF | Enrichment Factor |
| ROC | Receiver Operating Characteristic |
| AUC | Area Under Curve |