Table 6 Success rate of retrieving a reactant candidate from the PubChem database
From: Substructure-based neural machine translation for retrosynthetic prediction
Tanimoto coefficient | Ratio (%) | No. of discrepant keys |
|---|---|---|
1.00 | 62 | None |
\(\ge\).97 | 70 | 1 |
\(\ge\).94 | 91 | 2 |
\(\ge\).90 | 100 | 3 or 4 |