From: Ambiguity of non-systematic chemical identifiers within and between small-molecule databases
Database | Unique identifiers | Ambiguous identifiers | Ambiguity (%) | Compounds/ambiguous identifier |
---|---|---|---|---|
HMDB | 173,455 | 26,430 | 15.2 | 6.1 |
TTD | 100,570 | 4607 | 4.6 | 2.1 |
ChEMBL | 26,910 | 1050 | 3.9 | 2.1 |
NPC | 112,717 | 3455 | 3.1 | 2.1 |
ChemSpider | 9,691,277 | 245,541 | 2.5 | 2.5 |
ChEBI | 41,023 | 827 | 2.0 | 2.1 |
PubChem | 14,937,728 | 201,621 | 1.3 | 2.4 |
ChemSpider-V | 842,128 | 5401 | 0.6 | 2.3 |
DrugBank | 26,759 | 20 | 0.1 | 2.1 |