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 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.839 ± 0.003
2 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.829 ± 0.003
3 XGBoost Hao Tian GitHub, Paper 29 0.769 ± 0.000
4 ColorRefinement + Weighted Ensemble LGBM Parker Burchett GitHub 68 0.767 ± 0.003
4 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.749 ± 0.004
5 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.742 ± 0.006
6 NeuralFP Kexin Huang GitHub, Paper 480,193 0.739 ± 0.010
7 GCN Kexin Huang GitHub, Paper 191,810 0.735 ± 0.004
8 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.715 ± 0.004
9 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.713 ± 0.006

: The higher the better.