TDC.BBB_Martins Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.BBB_Martins % 1,975 Binary AUROC Scaffold

Leaderboard

Rank Model Contact Link #Params AUROC
1 BaseBoosting Andrew Li GitHub, Paper 23 0.923 ± 0.002
2 XGBoost Hao Tian GitHub, Paper 29 0.905 ± 0.001
3 SimGCN Suman Kalyan Bera GitHub, Paper 1,103,000 0.901 ± 0.007
4 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.897 ± 0.004
5 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.892 ± 0.012
6 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.889 ± 0.016
7 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.855 ± 0.011
8 GCN Kexin Huang GitHub, Paper 191,810 0.842 ± 0.016
9 NeuralFP Kexin Huang GitHub, Paper 480,193 0.836 ± 0.009
10 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.823 ± 0.015
11 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.781 ± 0.030

: The higher the better.