Table 2 Inconsistencies between the inchi tool and the molconvert tool
From: On InChI and evaluating the quality of cross-reference links
Inconsistency classes | |||||||
|---|---|---|---|---|---|---|---|
Database | Misused double-bond stereo | Unsupported stereo types | Ambiguous stereo (reported) | Ambiguous stereo (unreported) | Default valence interpretation | Aromatic bond interpretation | Total number of differences |
ChEBI | 537 | 9 | 68 | 3 | 19 | 0 | 636 |
DrugBank | 30 | 0 | 8 | 0 | 0 | 5 | 43 |
PDBeChem | 0 | 0 | 27 | 68 | 0 | 0 | 95 |
HMDB | 134 | 1 | 99 | 6 | 8 | 0 | 248 |
NPC | 395 | 0 | 16 | 12 | 9 | 0 | 431 |