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ResearchFormerly WizWand

ChemCoTBench

Benchmarks

TaskDatasetSOTA resultTrendResults

Molecular property optimization ranking and generation

ChemCoTBench

-0.01LogP Delta

8

Molecule Editing

ChemCoTBench

100Addition Success Rate

8

SMILES Equivalence

ChemCoTBench

97Eq Score

8

Scaffold Extraction

ChemCoTBench

0.57Murcko Similarity

8

Functional Group Counting

ChemCoTBench

42FG Score

8

Reagent Prediction

ChemCoTBench

51.2Top-1 Similarity

6

Solvent Prediction

ChemCoTBench

57.8Top-1 Similarity

6

Catalyst Prediction

ChemCoTBench

62.1Top-1 Similarity

6

By-product Prediction

ChemCoTBench forward prediction task

45Top-1 Acc

5

Forward Major Product Prediction

ChemCoTBench forward prediction task

0.59Top-1 Accuracy

5

Molecular Understanding

ChemCoTBench

0.35Ring MAE

4