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 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.904 ± 0.002
2 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.902 ± 0.002
3 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.851 ± 0.006
4 NeuralFP Kexin Huang GitHub, Paper 480,193 0.849 ± 0.004
5 GCN Kexin Huang GitHub, Paper 191,810 0.840 ± 0.010
6 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.829 ± 0.007
7 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.827 ± 0.009
8 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.821 ± 0.003

: The lower the better.