TDC.CYP2D6_Veith Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.CYP2D6_Veith % 13,130 Binary AUPRC Scaffold

Leaderboard

Rank Model Contact Link #Params AUPRC
1 MapLight + GNN Jim Notwell Github, Paper N/A 0.79 ± 0.001
2 ContextPred Kexin Huang Github, Paper 2,067,053 0.739 ± 0.005
3 MapLight Jim Notwell Github, Paper N/A 0.723 ± 0.003
4 AttrMasking Kexin Huang Github, Paper 2,067,053 0.721 ± 0.009
5 ChemFM Feiyang Cai Github, Paper 26.0M 0.704 ± 0.003
6 DeepMol (AutoML) DeepMol Team Github, Paper N/A 0.685 ± 0.0
7 Chemprop-RDKit Kyle Swanson Github, Paper N/A 0.673 ± 0.007
8 CFA Nan Jiang Github, Paper N/A 0.664 ± 0.012
9 Chemprop Kyle Swanson Github, Paper N/A 0.649 ± 0.016
10 AttentiveFP Kexin Huang Github, Paper 300,806 0.646 ± 0.014
11 ZairaChem Gemma Turon Github, Paper N/A 0.644 ± 0.085
12 NeuralFP Kexin Huang Github, Paper 480,193 0.627 ± 0.009