Translating the InChI: adapting neural machine translation to predict IUPAC names from a chemical identifier

Table 1 Evaluation of the trained model on a test set of 200,000 molecules

Subset	Accuracy (whole name)	Normalized edit distance^a
All	0.91	0.02 ± 0.03
Organic	0.91	0.02 ± 0.03
Inorganic	0.14	0.32 ± 0.20
Organometallic^b	0.20	0.37 ± 0.24
Other organic–inorganic mixture	0.50	0.15 ± 0.18

ISSN: 1758-2946