TDC.Clearance_Microsome_AZ Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.Clearance_Microsome_AZ mL.min-1.g-1 1,102 Regression Spearman Scaffold

Leaderboard

Rank Model Contact Link #Params Spearman
1 MapLight + GNN Jim Notwell GitHub, Paper N/A 0.630 ± 0.010
2 MiniMol Blazej Banaszewski GitHub, Paper N/A 0.628 ± 0.005
3 MapLight Jim Notwell GitHub, Paper N/A 0.626 ± 0.008
4 CFA Nan Jiang GitHub, Paper N/A 0.625 ± 0.012
5 RFStacker Andrew Li GitHub, Paper 1,858,225 0.625 ± 0.002
6 Chemprop-RDKit Kyle Swanson GitHub, Paper N/A 0.599 ± 0.025
7 SimGCN Suman Kalyan Bera GitHub, Paper 1,103,000 0.597 ± 0.025
8 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.586 ± 0.014
9 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.585 ± 0.034
10 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.578 ± 0.007
11 Euclia ML model Euclia GitHub, Paper 50 0.572 ± 0.010
12 ADMETrix Rohit Singh Yadav GitHub, Paper N/A 0.556 ± 0.015
13 Chemprop Kyle Swanson GitHub, Paper N/A 0.555 ± 0.022
14 DeepMol (AutoML) DeepMol team GitHub, Paper N/A 0.553 ± 0.013
15 GCN Kexin Huang GitHub, Paper 191,810 0.532 ± 0.033
16 NeuralFP Kexin Huang GitHub, Paper 480,193 0.529 ± 0.015
17 Basic ML Nilavo Boral GitHub, Paper N/A 0.518 ± 0.005
18 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.492 ± 0.020
19 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.365 ± 0.055
20 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.252 ± 0.116

: The higher the better.