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Papers Benchmarks Datasets Tasks

Molecular Property Prediction (Regression) research benchmarks · SOTA2 Research

Molecular Property Prediction (Regression)

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

0.515RMSE

69

Jul 9, 2026

0.599RMSE

54

Jul 9, 2026

MoleculeNet (test)

0.565ESOL Error

30

Jun 11, 2026

Clearance MoleculeNet scaffold (test)

51.11RMSE

2

May 14, 2026

BACE-reg MoleculeNet scaffold (test)

1.103RMSE

2

May 14, 2026

Lipophilicity MoleculeNet scaffold (test)

0.932RMSE

2

May 14, 2026

ESOL MoleculeNet scaffold (test)

0.961RMSE

2

May 14, 2026

Popular datasets

ESOL Lipophilicity MoleculeNet BACE-reg Clearance

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