TDC.CYP2C9_Veith Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.CYP2C9_Veith % 12,092 Binary AUPRC Scaffold

Leaderboard

Rank Model Contact Link #Params AUPRC
1 MapLight + GNN Jim Notwell Github, Paper N/A 0.859 ± 0.001
2 ContextPred Kexin Huang Github, Paper 2,067,053 0.839 ± 0.003
3 AttrMasking Kexin Huang Github, Paper 2,067,053 0.829 ± 0.003
4 ChemFM Feiyang Cai Github, Paper 13.0M 0.788 ± 0.005
5 ZairaChem Gemma Turon Github, Paper N/A 0.786 ± 0.004
6 MapLight Jim Notwell Github, Paper N/A 0.783 ± 0.002
7 Chemprop-RDKit Kyle Swanson Github, Paper N/A 0.777 ± 0.003
8 ColorRefinement + Weighted Ensemble LGBM Parker Burchett Github, Paper 68 0.767 ± 0.003
9 DeepMol (AutoML) DeepMol Team Github, Paper N/A 0.758 ± 0.002
10 Chemprop Kyle Swanson Github, Paper N/A 0.754 ± 0.002
11 CFA Nan Jiang Github, Paper N/A 0.751 ± 0.006
12 AttentiveFP Kexin Huang Github, Paper 300,806 0.749 ± 0.004