TDC.CYP3A4_Veith Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.CYP3A4_Veith % 12,328 Binary AUPRC Scaffold

Leaderboard

Rank Model Contact Link #Params AUPRC
1 MapLight + GNN Jim Notwell Github, Paper N/A 0.916 ± 0.0
2 ContextPred Kexin Huang Github, Paper 2,067,053 0.904 ± 0.002
3 AttrMasking Kexin Huang Github, Paper 2,067,053 0.902 ± 0.002
4 MapLight Jim Notwell Github, Paper 0.881 0.881 ± 0.001
5 Chemprop-RDKit Kyle Swanson Github, Paper N/A 0.876 ± 0.003
6 ZairaChem Gemma Turon Github, Paper N/A 0.875 ± 0.002
7 Chemprop Kyle Swanson Github, Paper N/A 0.862 ± 0.003
8 CFA Nan Jiang Github, Paper N/A 0.855 ± 0.004
9 AttentiveFP Kexin Huang Github, Paper 300,806 0.851 ± 0.006
10 NeuralFP Kexin Huang Github, Paper 480,193 0.849 ± 0.004