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 |