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 MapLight + GNN Jim Notwell GitHub, Paper N/A 0.938 ± 0.002
2 ZairaChem Gemma Turon GitHub, Paper N/A 0.935 ± 0.006
3 MapLight Jim Notwell GitHub, Paper N/A 0.930 ± 0.002
4 SimGCN Suman Kalyan Bera GitHub, Paper 1,103,000 0.929 ± 0.010
5 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.929 ± 0.006
6 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.923 ± 0.005
7 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.918 ± 0.007
8 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.908 ± 0.012
9 NeuralFP Kexin Huang GitHub, Paper 480,193 0.902 ± 0.020
10 GCN Kexin Huang GitHub, Paper 191,810 0.895 ± 0.021
11 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.892 ± 0.012
12 Chemprop-RDKit Kyle Swanson GitHub, Paper N/A 0.886 ± 0.016
13 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.880 ± 0.006
14 Chemprop Kyle Swanson GitHub, Paper N/A 0.860 ± 0.036
15 Euclia ML model Euclia GitHub, Paper 50 0.845 ± 0.003
16 Basic ML Nilavo Boral GitHub, Paper N/A 0.818 ± 0.000

: The higher the better.