Solubility_AqSolDB Leaderboard

TDC.Solubility_AqSolDB Leaderboard

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

Rank	Model	Contact	Link	#Params	MAE
1	Chemprop-RDKit	Kyle Swanson	Github, Paper	N/A	0.761 ± 0.025
2	Innoplexus ADME	Rohit Yadav	Github, Paper	N/A	0.771 ± 0.005
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