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 | ADMETrix | Rohit Singh Yadav | GitHub, Paper | N/A | 0.870 ± 0.006 |
3 | MapLight + GNN | Jim Notwell | GitHub, Paper | N/A | 0.869 ± 0.002 |
4 | MapLight | Jim Notwell | GitHub, Paper | N/A | 0.868 ± 0.002 |
5 | CFA | Nan Jiang | GitHub, Paper | N/A | 0.852 ± 0.005 |
6 | Chemprop-RDKit | Kyle Swanson | GitHub, Paper | N/A | 0.850 ± 0.004 |
7 | MiniMol | Blazej Banaszewski | GitHub, Paper | N/A | 0.849 ± 0.004 |
8 | DeepMol (AutoML) | DeepMol team | GitHub, Paper | N/A | 0.847 ± 0.007 |
9 | CMPNN | Devansh Amin | GitHub, Paper | N/A | 0.843 ± 0.009 |
10 | Chemprop | Kyle Swanson | GitHub, Paper | N/A | 0.842 ± 0.014 |
11 | AttrMasking | Kexin Huang | GitHub, Paper | 2,067,053 | 0.842 ± 0.008 |
12 | ContextPred | Kexin Huang | GitHub, Paper | 2,067,053 | 0.837 ± 0.009 |
13 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 633,409 | 0.823 ± 0.011 |
14 | NeuralFP | Kexin Huang | GitHub, Paper | 480,193 | 0.823 ± 0.006 |
15 | GCN | Kexin Huang | GitHub, Paper | 191,810 | 0.818 ± 0.010 |
16 | AttentiveFP | Kexin Huang | GitHub, Paper | 300,806 | 0.814 ± 0.008 |
17 | Morgan + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 1,477,185 | 0.794 ± 0.008 |
18 | CNN (DeepPurpose) | Kexin Huang | GitHub, Paper | 226,625 | 0.776 ± 0.015 |
19 | Euclia ML model | Euclia | GitHub, Paper | 50 | 0.755 ± 0.003 |
20 | Basic ML | Nilavo Boral | GitHub, Paper | N/A | 0.716 ± 0.000 |
: The higher the better.