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IUPAC2Mol

Benchmarks

Task NameDataset NameSOTA ResultTrend
IUPAC-to-Molecule translationIUPAC2Mol (test)
Morgan FTS0.5108
12
IUPAC to Molecule translationIUPAC2Mol GED k=5 (test)
Morgan FTS Score32.36
10
IUPAC to Molecule translationIUPAC2Mol GED k=4 (test)
Morgan FTS35.34
10
IUPAC to Molecule translationIUPAC2Mol GED k=3 (test)
Morgan FTS39.96
10
IUPAC to Molecule translationIUPAC2Mol GED k=2 (test)
Morgan FTS0.4681
10
IUPAC to Molecule translationIUPAC2Mol GED k=1 (test)
Morgan FTS59.58
10
IUPAC to Molecule translationIUPAC2Mol Raw (test)
Morgan FTS76.04
10
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