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Table 7 Analysis on test set using OPSIN

From: STOUT: SMILES to IUPAC names using neural machine translation

OPSIN analysis on test set

Values

Invalid IUPAC names

1.69%

Valid IUPAC names

98.31%

Tanimoto 1.0 count on the total test dataset

97.89%

Tanimoto 1.0 count on valid IUPAC names

96.24%

Average Tanimoto (measured for total test dataset)

0.99

Average Tanimoto (measured for valid IUPAC names)

0.98