IUPAC2Mol
Benchmarks
TaskDatasetSOTA resultTrendResults
IUPAC2Mol (test)
0.511Morgan FTS
12
IUPAC2Mol GED k=5 (test)
32.36Morgan FTS Score
10
IUPAC2Mol GED k=4 (test)
35.34Morgan FTS
10
IUPAC2Mol GED k=3 (test)
39.96Morgan FTS
10
IUPAC2Mol GED k=2 (test)
0.468Morgan FTS
10
IUPAC2Mol GED k=1 (test)
59.58Morgan FTS
10
IUPAC2Mol Raw (test)
76.04Morgan FTS
10