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Table 3 Tanimoto similarities

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

Training dataset size 30 Mio 60 Mio
Invalid IUPAC names 21.41% 14.50%
Valid IUPAC names 78.59% 85.50%
Tanimoto 1.0 count on the total test dataset 58.36% 72.33%
Tanimoto 1.0 count on valid IUPAC names 74.26% 84.59%
Average Tanimoto (measured for total test dataset) 0.75 0.83
Average Tanimoto (measured for valid IUPAC names) 0.96 0.98