TDC.HIA_Hou Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.HIA_Hou % 578 Binary AUROC Scaffold

Leaderboard

Rank Model Contact Link #Params AUROC
1 MapLight + GNN Jim Notwell GitHub, Paper N/A 0.989 ± 0.001
2 RFStacker Andrew Li GitHub, Paper 1,858,225 0.988 ± 0.002
3 MapLight Jim Notwell GitHub, Paper N/A 0.986 ± 0.000
4 Chemprop-RDKit Kyle Swanson GitHub, Paper N/A 0.981 ± 0.002
5 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.978 ± 0.006
6 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.975 ± 0.004
7 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.974 ± 0.007
8 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.972 ± 0.008
9 Chemprop Kyle Swanson GitHub, Paper N/A 0.965 ± 0.005
10 ZairaChem Gemma Turon GitHub, Paper N/A 0.948 ± 0.018
11 NeuralFP Kexin Huang GitHub, Paper 480,193 0.943 ± 0.014
12 GCN Kexin Huang GitHub, Paper 191,810 0.936 ± 0.024
13 Euclia ML model Euclia GitHub, Paper 50 0.926 ± 0.017
14 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.869 ± 0.026
15 Basic ML Nilavo Boral GitHub, Paper N/A 0.818 ± 0.010
16 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.807 ± 0.072

: The higher the better.