Table 3 Consistency of MOLs and systematic identifiers (in % agreement) within databases
From: Consistency of systematic chemical identifiers within and between small-molecule databases
| Database | MOL–InChI | MOL–SMILES | MOL–IUPAC |
|---|---|---|---|
| DrugBank | 98.2 | 98.5 | 90.0 |
| ChEBI | 96.5 | 96.5 | 75.3 |
| HMDB | 89.3 | 37.2 | 55.7 |
| PubChem | 97.7 | 97.8 | 87.2 |
| NPC | - | 93.4 | - |