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 MiniMol Blazej Banaszewski GitHub, Paper N/A 0.993 ± 0.005
2 DeepMol (AutoML) DeepMol team GitHub, Paper N/A 0.990 ± 0.002
3 MapLight + GNN Jim Notwell GitHub, Paper N/A 0.989 ± 0.001
4 RFStacker Andrew Li GitHub, Paper 1,858,225 0.988 ± 0.002
5 MapLight Jim Notwell GitHub, Paper N/A 0.986 ± 0.000
6 ADMETrix Rohit Singh Yadav GitHub, Paper N/A 0.985 ± 0.003
7 Chemprop-RDKit Kyle Swanson GitHub, Paper N/A 0.981 ± 0.002
8 CFA Nan Jiang GitHub, Paper N/A 0.981 ± 0.009
9 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.978 ± 0.006
10 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.975 ± 0.004
11 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.974 ± 0.007
12 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.972 ± 0.008
13 Chemprop Kyle Swanson GitHub, Paper N/A 0.965 ± 0.005
14 ZairaChem Gemma Turon GitHub, Paper N/A 0.948 ± 0.018
15 NeuralFP Kexin Huang GitHub, Paper 480,193 0.943 ± 0.014
16 GCN Kexin Huang GitHub, Paper 191,810 0.936 ± 0.024
17 Euclia ML model Euclia GitHub, Paper 50 0.926 ± 0.017
18 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.869 ± 0.026
19 Basic ML Nilavo Boral GitHub, Paper N/A 0.818 ± 0.010
20 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.807 ± 0.072

: The higher the better.