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AqSolDB

Benchmarks

TaskDatasetSOTA resultTrendResults

Absorption Regression

AqSolDB (train-test)

1.65RMSE

8

ADMET Properties Prediction

TDC Solubility AqSolDB

0.741MAE

7

Molecular Property Prediction

AqSolDB

0.851logS (log M)

5

Aqueous solubility prediction

AqSolDB (test)

1.06MAE

4