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 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.439 ± 0.026
2 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.413 ± 0.028
3 NeuralFP Kexin Huang GitHub, Paper 480,193 0.401 ± 0.037
4 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.382 ± 0.007
5 GCN Kexin Huang GitHub, Paper 191,810 0.366 ± 0.063
6 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.289 ± 0.022
7 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.272 ± 0.068
8 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.235 ± 0.021

: The lower the better.