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

: The lower the better.