ESOL (Estimated SOLubility)

Introduced 2022-06-23

ESOL is a water solubility prediction dataset consisting of 1128 samples.

Benchmarks

Drug Discovery/RMSE

Related Benchmarks

ESOL/Atomistic Description/R2 ESOL/Atomistic Description/RMSE ESOL/Graph Regression/RMSE ESOL/Log Solubility/RMSE ESOL/Molecular Property Prediction/R2 ESOL/Molecular Property Prediction/RMSE