Table 3 Number of shared non-systematic identifiers between databases, ambiguity of the shared identifiers (first figure in parentheses, in italics), and the percentage of shared identifiers that are ambiguous within at least one of the databases (second figure in parentheses)
From: Ambiguity of non-systematic chemical identifiers within and between small-molecule databases
Database | ChEBI | ChEMBL | ChemSpider | ChemSpider-V | DrugBank | HMDB | NPC | PubChem |
|---|---|---|---|---|---|---|---|---|
ChEMBL | 1886 (39.5/18.2) | |||||||
ChemSpider | 28,281 (30.9/24.1) | 23,584 (29.9/22.3) | ||||||
ChemSpider-V | 5081 (39.9/9.8) | 4303 (43.6/16.6) | ||||||
DrugBank | 2981 (28.7/3.4) | 4108 (39.6/14.7) | 19,222 (50.7/32.0) | 6985 (45.2/6.7) | ||||
HMDB | 4529 (49.6/10.6) | 2325 (48.4/17.7) | 27,608 (57.3/29.5) | 11,774 (43.9/8.8) | 5515 (30.7/5.2) | |||
NPC | 5516 (40.7/6.1) | 6858 (46.4/15.1) | 62,527 (60.2/26.8) | 18,709 (48.6/7.4) | 22,377 (21.9/2.0) | 6815 (44.4/7.4) | ||
PubChem | 24,331 (36.9/26.1) | 25,607 (33.1/28.9) | 2,275,338 (17.7/8.5) | 99,334 (41.6/19.2) | 24,929 (46.8/39.4) | 35,905 (43.3/28.3) | 68,280 (49.8/29.6) | |
TTD | 4854 (27.7/7.6) | 5019 (36.9/16.9) | 50,182 (32.3/18.4) | 8305 (40.3/10.4) | 17,232 (18.2/6.8) | 6256 (43.0/11.2) | 23,669 (22.4/6.9) | 98,853 (25.4/23.0) |