TDC.AMES Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.AMES % 7,255 Binary AUROC Scaffold

Leaderboard

Rank Model Contact Link #Params AUROC
1 ZairaChem Gemma Turon GitHub, Paper N/A 0.871 ± 0.002
2 MapLight + GNN Jim Notwell GitHub, Paper N/A 0.869 ± 0.002
3 MapLight Jim Notwell GitHub, Paper N/A 0.868 ± 0.002
4 CFA Nan Jiang GitHub, Paper N/A 0.852 ± 0.005
5 Chemprop-RDKit Kyle Swanson GitHub, Paper N/A 0.850 ± 0.004
6 DeepMol (AutoML) DeepMol Team GitHub, Paper N/A 0.847 ± 0.007
6 CMPNN Devansh Amin GitHub, Paper 3.0 M 0.843 ± 0.009
6 Chemprop Kyle Swanson GitHub, Paper N/A 0.842 ± 0.014
7 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.842 ± 0.008
8 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.837 ± 0.009
9 NeuralFP Kexin Huang GitHub, Paper 480,193 0.823 ± 0.006
10 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.823 ± 0.011
11 GCN Kexin Huang GitHub, Paper 191,810 0.818 ± 0.010
12 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.814 ± 0.008
13 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.794 ± 0.008
14 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.776 ± 0.015
15 Euclia ML model Euclia GitHub, Paper 50 0.755 ± 0.003
16 Basic ML Nilavo Boral GitHub, Paper N/A 0.716 ± 0.000

: The higher the better.