TDC.Clearance_Microsome_AZ
Leaderboard
Dataset Summary
Dataset | Unit | Size | Task | Metric | Dataset Split |
---|---|---|---|---|---|
TDC.Clearance_Microsome_AZ | mL.min-1.g-1 | 1,102 | Regression | Spearman | Scaffold |
Leaderboard
Rank | Model | Contact | Link | #Params | Spearman |
---|---|---|---|---|---|
1 | RFStacker | Andrew Li | GitHub, Paper | 1,858,225 | 0.625 ± 0.002 |
2 | SimGCN | Suman Kalyan Bera | GitHub, Paper | 1,103,000 | 0.597 ± 0.025 |
3 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 633,409 | 0.586 ± 0.014 |
4 | AttrMasking | Kexin Huang | GitHub, Paper | 2,067,053 | 0.585 ± 0.034 |
5 | ContextPred | Kexin Huang | GitHub, Paper | 2,067,053 | 0.578 ± 0.007 |
6 | Euclia ML model | Euclia | GitHub, Paper | 50 | 0.572 ± 0.010 |
7 | GCN | Kexin Huang | GitHub, Paper | 191,810 | 0.532 ± 0.033 |
8 | NeuralFP | Kexin Huang | GitHub, Paper | 480,193 | 0.529 ± 0.015 |
9 | Basic ML | Nilavo Boral | GitHub, Paper | N/A | 0.518 ± 0.005 |
10 | Morgan + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 1,477,185 | 0.492 ± 0.020 |
11 | AttentiveFP | Kexin Huang | GitHub, Paper | 300,806 | 0.365 ± 0.055 |
12 | CNN (DeepPurpose) | Kexin Huang | GitHub, Paper | 226,625 | 0.252 ± 0.116 |
: The higher the better.