TDC.Lipophilicity_AstraZeneca Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.Lipophilicity_AstraZeneca log-ratio 4,200 Regression MAE Scaffold

Leaderboard

Rank Model Contact Link #Params MAE
1 ChemFM Feiyang Cai Github, Paper 13.0M 0.46 ± 0.006
2 Chemprop-RDKit Kyle Swanson Github, Paper N/A 0.467 ± 0.006
3 Chemprop Kyle Swanson Github, Paper N/A 0.47 ± 0.009
4 BaseBoosting KyQVZ6b2 David Huang Github, Paper N/A 0.479 ± 0.007
5 CMPNN Devansh Amin Github, Paper 3.0 M 0.515 ± 0.038
6 MapLight + GNN Jim Notwell Github, Paper N/A 0.525 ± 0.003
7 ContextPred Kexin Huang Github, Paper 2,067,053 0.535 ± 0.012
8 StackingRegressor (DeepMol) DeepMol Team Github, Paper N/A 0.538 ± 0.001
9 MapLight Jim Notwell Github, Paper N/A 0.539 ± 0.002
10 GCN Kexin Huang Github, Paper 191,810 0.541 ± 0.011
11 AttrMasking Kexin Huang Github, Paper 2,067,053 0.547 ± 0.024
12 NeuralFP Kexin Huang Github, Paper 480,193 0.563 ± 0.023
13 AttentiveFP Kexin Huang Github, Paper 300,806 0.572 ± 0.007