TDC.hERG Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.hERG % 648 Binary AUROC Scaffold

Leaderboard

Rank Model Contact Link #Params AUROC
1 MapLight + GNN Jim Notwell Github, Paper N/A 0.88 ± 0.002
2 CFA Nan Jiang Github, Paper N/A 0.875 ± 0.014
3 SimGCN Suman Kalyan Bera Github, Paper 1,103,000 0.874 ± 0.014
4 MapLight Jim Notwell Github, Paper N/A 0.871 ± 0.004
5 ZairaChem Gemma Turon Github, Paper N/A 0.856 ± 0.009
6 ChemFM Feiyang Cai Github, Paper 13.0M 0.848 ± 0.009
7 RDKit2D + MLP (DeepPurpose) Kexin Huang Github, Paper 633,409 0.841 ± 0.02
8 Chemprop-RDKit Kyle Swanson Github, Paper N/A 0.84 ± 0.007
9 AttentiveFP Kexin Huang Github, Paper 300,806 0.825 ± 0.007
10 AttrMasking Kexin Huang Github, Paper 2,067,053 0.778 ± 0.046
11 DeepMol (AutoML) DeepMol Team Github, Paper 2,067,053 0.763 ± 0.015
12 ContextPred Kexin Huang Github, Paper 2,067,053 0.756 ± 0.023