TDC.HIA_Hou Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.HIA_Hou % 578 Binary AUROC Scaffold

Leaderboard

Rank Model Contact Link #Params AUROC
1 XGBoost Hao Tian GitHub, Paper 29 0.988 ± 0.002
2 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.978 ± 0.006
3 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.975 ± 0.004
4 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.974 ± 0.007
5 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.972 ± 0.008
6 NeuralFP Kexin Huang GitHub, Paper 480,193 0.943 ± 0.014
7 GCN Kexin Huang GitHub, Paper 191,810 0.936 ± 0.024
8 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.869 ± 0.026
9 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.807 ± 0.072

: The higher the better.