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 BaseBoosting Andrew Li GitHub, Paper 40 0.721 ± 0.001
2 XGBoost Hao Tian GitHub, Paper 29 0.721 ± 0.003
3 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.646 ± 0.014
4 NeuralFP Kexin Huang GitHub, Paper 480,193 0.627 ± 0.009
5 GCN Kexin Huang GitHub, Paper 191,810 0.616 ± 0.020
6 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.616 ± 0.007
7 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.587 ± 0.011
8 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.544 ± 0.053

: The lower the better.