| AD | Average distance |
| ADM | Average distance between means |
| APN | Average proportion of non-overlap |
| AvgJ | Average Jaccard coefficient |
| CID | Compound identification name |
| CE | Circular economy |
| Cophc | Cophenetic correlation coefficient |
| FOM | Figure of merit |
| HBA | Hydrogen bond acceptor |
| HBD | Hydrogen bond donors |
| Log P | Logarithm of the partition coefficient |
| MF | Molecular formula |
| MR | Molar refractivity |
| MW | Molecular weight |
| PSA | Polar surface area |
| SAR | Structure-activity relationship |
| SDF | Structure definition file |
| TPSA | Topological PSA |