TDC.VDss_Lombardo Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.VDss_Lombardo L/kg 1,130 Regression Spearman Scaffold

Leaderboard

Rank Model Contact Link #Params Spearman
1 MapLight + GNN Jim Notwell GitHub, Paper N/A 0.713 ± 0.007
2 MapLight Jim Notwell GitHub, Paper N/A 0.707 ± 0.009
3 Basic ML Nilavo Boral GitHub, Paper N/A 0.627 ± 0.010
4 Euclia ML model Euclia GitHub, Paper 50 0.609 ± 0.014
5 SimGCN Suman Kalyan Bera GitHub, Paper 1,103,000 0.582 ± 0.031
6 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.561 ± 0.025
7 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.559 ± 0.019
8 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.493 ± 0.011
9 Chemprop Kyle Swanson GitHub, Paper N/A 0.491 ± 0.046
10 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.485 ± 0.092
11 GCN Kexin Huang GitHub, Paper 191,810 0.457 ± 0.050
12 Chemprop-RDKit Kyle Swanson GitHub, Paper N/A 0.389 ± 0.075
13 NeuralFP Kexin Huang GitHub, Paper 480,193 0.258 ± 0.162
14 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.241 ± 0.145
15 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.226 ± 0.114

: The higher the better.