TDC.Clearance_Hepatocyte_AZ Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.Clearance_Hepatocyte_AZ uL.min-1.(10^6 cells)-1 1,020 Regression Spearman Scaffold

Leaderboard

Rank Model Contact Link #Params Spearman
1 CFA Nan Jiang Github, Paper N/A 0.536 ± 0.02
2 MapLight + GNN Jim Notwell Github, Paper N/A 0.498 ± 0.009
3 ChemFM Feiyang Cai Github, Paper 1.6M 0.495 ± 0.03
4 MapLight Jim Notwell Github, Paper N/A 0.466 ± 0.012
5 Basic ML Nilavo Boral Github, Paper N/A 0.44 ± 0.003
6 DeepMol (AutoML) DeepMol Team Github, Paper N/A 0.44 ± 0.011
7 ContextPred Kexin Huang Github, Paper 2,067,053 0.439 ± 0.026
8 Chemprop Kyle Swanson Github, Paper N/A 0.431 ± 0.006
9 Chemprop-RDKit Kyle Swanson Github, Paper N/A 0.43 ± 0.021
10 Euclia ML model Euclia Github, Paper 50 0.424 ± 0.008
11 AttrMasking Kexin Huang Github, Paper 2,067,053 0.413 ± 0.028
12 NeuralFP Kexin Huang Github, Paper 480,193 0.401 ± 0.037