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 ZairaChem Gemma Turon GitHub, Paper N/A 0.786 ± 0.004
4 Chemprop-RDKit Kyle Swanson GitHub, Paper N/A 0.780 ± 0.001
5 ColorRefinement + Weighted Ensemble LGBM Parker Burchett GitHub, Paper 68 0.767 ± 0.003
6 Chemprop Kyle Swanson GitHub, Paper N/A 0.750 ± 0.004
7 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.749 ± 0.004
8 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.742 ± 0.006
9 NeuralFP Kexin Huang GitHub, Paper 480,193 0.739 ± 0.010
10 GCN Kexin Huang GitHub, Paper 191,810 0.735 ± 0.004
11 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.715 ± 0.004
12 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.713 ± 0.006
13 Basic ML Nilavo Boral GitHub, Paper N/A 0.556 ± 0.000
14 Euclia ML model Euclia GitHub, Paper 50 0.536 ± 0.003

: The higher the better.