TDC.Pgp_Broccatelli Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.Pgp_Broccatelli % 1,212 Binary AUROC Scaffold

Leaderboard

Rank Model Contact Link #Params AUROC
1 SimGCN Suman Kalyan Bera GitHub, Paper 1,103,000 0.929 ± 0.010
2 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.929 ± 0.006
3 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.923 ± 0.005
4 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.918 ± 0.007
5 XGBoost Hao Tian GitHub, Paper 29 0.911 ± 0.001
6 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.908 ± 0.012
7 NeuralFP Kexin Huang GitHub, Paper 480,193 0.902 ± 0.020
8 GCN Kexin Huang GitHub, Paper 191,810 0.895 ± 0.021
9 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.892 ± 0.012
10 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.880 ± 0.006

: The higher the better.