TDC.VDss_Lombardo Leaderboard
Dataset Summary
| Dataset | Unit | Size | Task | Metric | Dataset Split |
|---|---|---|---|---|---|
| TDC.VDss_Lombardo | L/kg | 1,130 | Regression | Spearman | Scaffold |
Leaderboard
| Rank | Model | Contact | Link | #Params | Spearman |
|---|---|---|---|---|---|
| 1 | Basic ML | Nilavo Boral | GitHub, Paper | N/A | 0.627 ± 0.010 |
| 2 | Euclia ML model | Euclia | GitHub, Paper | 50 | 0.609 ± 0.014 |
| 3 | SimGCN | Suman Kalyan Bera | GitHub, Paper | 1,103,000 | 0.582 ± 0.031 |
| 4 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 633,409 | 0.561 ± 0.025 |
| 5 | AttrMasking | Kexin Huang | GitHub, Paper | 2,067,053 | 0.559 ± 0.019 |
| 6 | Morgan + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 1,477,185 | 0.493 ± 0.011 |
| 7 | ContextPred | Kexin Huang | GitHub, Paper | 2,067,053 | 0.485 ± 0.092 |
| 8 | Chemprop | Kyle Swanson | GitHub, Paper | N/A | 0.474 ± 0.048 |
| 9 | GCN | Kexin Huang | GitHub, Paper | 191,810 | 0.457 ± 0.050 |
| 10 | Chemprop-RDKit | Kyle Swanson | GitHub, Paper | N/A | 0.394 ± 0.076 |
| 11 | NeuralFP | Kexin Huang | GitHub, Paper | 480,193 | 0.258 ± 0.162 |
| 12 | AttentiveFP | Kexin Huang | GitHub, Paper | 300,806 | 0.241 ± 0.145 |
| 13 | CNN (DeepPurpose) | Kexin Huang | GitHub, Paper | 226,625 | 0.226 ± 0.114 |
: The higher the better.