Table 6 Agreement between MOL files of compounds that have a cross-references in one database (row) to another database (column) after stereochemistry standardisation
From: Consistency of systematic chemical identifiers within and between small-molecule databases
DrugBank | ChEBI | HMDB | PubChem | NPC | |
|---|---|---|---|---|---|
DrugBank | - | 91.4% | - | 95.6% | - |
ChEBI | 68.6% | - | 93.0% | - | - |
HMDB | - | 82.0% | - | 89.8% | - |
PubChem | - | - | - | - | - |
NPC | 93.4% | - | - | 47.6% | - |