Table 5 Effect of standardization on the ambiguity of non-systematic identifiers (in %) across databases
From: Ambiguity of non-systematic chemical identifiers within and between small-molecule databases
Database | Standardization | ChEBI | ChEMBL | ChemSpider | ChemSpider-V | DrugBank | HMDB | NPC | PubChem |
|---|---|---|---|---|---|---|---|---|---|
ChEMBL | FICTS | 39.5 | |||||||
uICTS | 22.0 | ||||||||
FICTu | 32.6 | ||||||||
ChemSpider | FICTS | 30.9 | 29.9 | ||||||
uICTS | 28.4 | 25.0 | |||||||
FICTu | 19.5 | 17.8 | |||||||
ChemSpider-V | FICTS | 39.9 | 43.6 | ||||||
uICTS | 36.5 | 34.1 | |||||||
FICTu | 26.1 | 27.3 | |||||||
DrugBank | FICTS | 28.7 | 39.6 | 50.7 | 45.2 | ||||
uICTS | 15.5 | 22.6 | 41.4 | 37.2 | |||||
FICTu | 23.3 | 32.6 | 35.9 | 33.4 | |||||
HMDB | FICTS | 49.6 | 48.4 | 57.3 | 43.9 | 30.7 | |||
uICTS | 47.4 | 36.1 | 54.4 | 42.4 | 30.4 | ||||
FICTu | 32.3 | 33.0 | 34.4 | 23.3 | 16.1 | ||||
NPC | FICTS | 40.7 | 46.4 | 60.2 | 48.6 | 21.9 | 44.4 | ||
uICTS | 31.2 | 31.1 | 45.9 | 37.3 | 21.3 | 43.5 | |||
FICTu | 26.8 | 36.2 | 45.1 | 31.6 | 13.5 | 21.2 | |||
PubChem | FICTS | 36.9 | 33.1 | 17.7 | 41.6 | 46.8 | 43.3 | 49.8 | |
uICTS | 32.9 | 25.2 | 16.1 | 37.1 | 37.6 | 40.9 | 38.4 | ||
FICTu | 24.1 | 24.0 | 9.0 | 25.4 | 34.6 | 26.7 | 35.1 | ||
TTD | FICTS | 27.7 | 36.9 | 32.3 | 40.3 | 18.2 | 43.0 | 22.4 | 25.4 |
uICTS | 20.9 | 24.6 | 27.8 | 32.7 | 16.8 | 41.1 | 20.6 | 21.6 | |
FICTu | 15.2 | 26.0 | 17.8 | 23.0 | 10.1 | 22.0 | 9.2 | 13.8 |