TDC.Solubility_AqSolDB Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.Solubility_AqSolDB log mol/L 9,982 Regression MAE Scaffold

Leaderboard

Rank Model Contact Link #Params MAE
1 ChemFM Feiyang Cai Github, Paper 13.0M 0.725 ± 0.011
2 Chemprop-RDKit Kyle Swanson Github, Paper N/A 0.761 ± 0.025
3 DeepMol (AutoML) DeepMol Team Github, Paper N/A 0.775 ± 0.006
4 AttentiveFP Kexin Huang Github, Paper 300,806 0.776 ± 0.008
5 MapLight + GNN Jim Notwell Github, Paper N/A 0.789 ± 0.003
6 MapLight Jim Notwell Github, Paper N/A 0.792 ± 0.002
7 CMPNN Devansh Amin Github, Paper 3.0 M 0.796 ± 0.038
8 RDKit2D + MLP (DeepPurpose) Kexin Huang Github, Paper 633,409 0.827 ± 0.047
9 Basic ML Nilavo Boral Github, Paper N/A 0.828 ± 0.002
10 Chemprop Kyle Swanson Github, Paper N/A 0.829 ± 0.022