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Papers Benchmarks Datasets Tasks

Regression-based molecular property prediction research benchmarks · SOTA2 Research

Regression-based molecular property prediction

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

Lipophilicity (random split)

0.555RMSE

5

Feb 26, 2026

FreeSolv (random split)

0.941RMSE

5

Feb 26, 2026

ESOL (random split)

0.386RMSE

5

Feb 26, 2026

pdbbind (random split)

1.391RMSE

2

Feb 26, 2026

Popular datasets

PDBBind FreeSolv ESOL Lipophilicity

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