TDC.DILI Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.DILI % 475 Binary AUROC Scaffold

Leaderboard

Rank Model Contact Link #Params AUROC
1 XGBoost Hao Tian GitHub, Paper 29 0.925 ± 0.012
2 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.919 ± 0.008
3 SimGCN Suman Kalyan Bera GitHub, Paper 1,103,000 0.909 ± 0.011
4 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.886 ± 0.015
5 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.875 ± 0.019
6 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.861 ± 0.018
7 GCN Kexin Huang GitHub, Paper 191,810 0.859 ± 0.033
8 NeuralFP Kexin Huang GitHub, Paper 480,193 0.851 ± 0.026
9 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.832 ± 0.021
10 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.792 ± 0.016

: The higher the better.