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Table 1 Number of structures (MOLs) and systematic identifier counts for databases in this study

From: Consistency of systematic chemical identifiers within and between small-molecule databases

Database MOL InChI SMILES IUPAC
DrugBank 6506 6391 6504 6489
ChEBI 21367 19076 19725 18798
HMDB 8534 8534 8534 7727
PubChem 5069294 5069293 5069294 4769031
NPC 8024 0 8018 0