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Journal of Cheminformatics
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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
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