TDC.AMES Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.AMES % 7,255 Binary AUROC Scaffold

Leaderboard

Rank Model Contact Link #Params AUROC
1 XGBoost Hao Tian GitHub, Paper 29 0.859 ± 0.000
2 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.842 ± 0.008
3 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.837 ± 0.009
4 NeuralFP Kexin Huang GitHub, Paper 480,193 0.823 ± 0.006
5 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.823 ± 0.011
6 GCN Kexin Huang GitHub, Paper 191,810 0.818 ± 0.010
7 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.814 ± 0.008
8 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.794 ± 0.008
9 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.776 ± 0.015

: The higher the better.