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 ± 0.020
2 MapLight + GNN Jim Notwell GitHub, Paper N/A 0.498 ± 0.009
3 MapLight Jim Notwell GitHub, Paper N/A 0.466 ± 0.012
4 ADMETrix Rohit Singh Yadav GitHub, Paper N/A 0.447 ± 0.028
5 MiniMol Blazej Banaszewski GitHub, Paper N/A 0.446 ± 0.029
6 Basic ML Nilavo Boral GitHub, Paper N/A 0.440 ± 0.003
7 DeepMol (AutoML) DeepMol team GitHub, Paper N/A 0.440 ± 0.011
8 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.439 ± 0.026
9 Chemprop Kyle Swanson GitHub, Paper N/A 0.431 ± 0.006
10 Chemprop-RDKit Kyle Swanson GitHub, Paper N/A 0.430 ± 0.021
11 Euclia ML model Euclia GitHub, Paper 50 0.424 ± 0.008
12 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.413 ± 0.028
13 NeuralFP Kexin Huang GitHub, Paper 480,193 0.401 ± 0.037
14 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.382 ± 0.007
15 GCN Kexin Huang GitHub, Paper 191,810 0.366 ± 0.063
16 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.289 ± 0.022
17 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.272 ± 0.068
18 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.235 ± 0.021

: The lower the better.