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 ZairaChem Gemma Turon GitHub, Paper N/A 0.786 ± 0.004
5 MapLight Jim Notwell GitHub, Paper N/A 0.783 ± 0.002
6 Chemprop-RDKit Kyle Swanson GitHub, Paper N/A 0.777 ± 0.003
7 ColorRefinement + Weighted Ensemble LGBM Parker Burchett GitHub, Paper 68 0.767 ± 0.003
8 Chemprop Kyle Swanson GitHub, Paper N/A 0.754 ± 0.002
9 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.749 ± 0.004
10 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.742 ± 0.006
11 NeuralFP Kexin Huang GitHub, Paper 480,193 0.739 ± 0.010
12 GCN Kexin Huang GitHub, Paper 191,810 0.735 ± 0.004
13 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.715 ± 0.004
14 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.713 ± 0.006
15 Basic ML Nilavo Boral GitHub, Paper N/A 0.556 ± 0.000
16 Euclia ML model Euclia GitHub, Paper 50 0.536 ± 0.003

: The higher the better.