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Table 2 Ambiguity of non-systematic identifiers and the average number of compounds per ambiguous identifier, within databases

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