tdc_ml.HIA_Hou Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
tdc_ml.HIA_Hou % 578 Binary AUROC Scaffold

Leaderboard

Rank Model Contact Link #Params AUROC
1 DeepMol (AutoML) DeepMol Team Github, Paper N/A 0.99 ± 0.002
2 MapLight + GNN Jim Notwell Github, Paper N/A 0.989 ± 0.001
3 RFStacker Andrew Li Github, Paper 1,858,225 0.988 ± 0.002
4 MapLight Jim Notwell Github, Paper N/A 0.986 ± 0.0
5 ChemFM Feiyang Cai Github, Paper 1.6M 0.984 ± 0.004
6 CFA Nan Jiang Github, Paper N/A 0.981 ± 0.009
7 Chemprop-RDKit Kyle Swanson Github, Paper N/A 0.981 ± 0.002
8 AttrMasking Kexin Huang Github, Paper 2,067,053 0.978 ± 0.006
9 ContextPred Kexin Huang Github, Paper 2,067,053 0.975 ± 0.004
10 AttentiveFP Kexin Huang Github, Paper 300,806 0.974 ± 0.007
11 RDKit2D + MLP (DeepPurpose) Kexin Huang Github, Paper 633,409 0.972 ± 0.008