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ChemCoTBench

Benchmarks

Task NameDataset NameSOTA ResultTrend
Molecule EditingChemCoTBench
Addition Success Rate100
8
SMILES EquivalenceChemCoTBench
Eq Score97
8
Scaffold ExtractionChemCoTBench
Murcko Similarity0.57
8
Functional Group CountingChemCoTBench
FG Score42
8
Reagent PredictionChemCoTBench
Top-1 Similarity51.2
6
Solvent PredictionChemCoTBench
Top-1 Similarity57.8
6
Catalyst PredictionChemCoTBench
Top-1 Similarity62.1
6
By-product PredictionChemCoTBench forward prediction task
Top-1 Acc45
5
Forward Major Product PredictionChemCoTBench forward prediction task
Top-1 Accuracy0.59
5
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