TDC.PPBR_AZ Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.PPBR_AZ % 1,797 Regression MAE Scaffold

Leaderboard

↑↓ for history. Search history with c-↑/c-↓
Rank Model Contact Link #Params MAE
1 MapLight + GNN Jim Notwell GitHub, Paper N/A 7.526 ± 0.106
2 MapLight Jim Notwell GitHub, Paper N/A 7.660 ± 0.058
3 Chemprop Kyle Swanson GitHub, Paper N/A 7.788 ± 0.210
4 BaseBoosting KyQVZ6b2 David Huang GitHub, Paper N/A 7.914 ± 0.096
5 Chemprop-RDKit Kyle Swanson GitHub, Paper N/A 8.288 ± 0.173
6 CFA Nan Jiang GitHub, Paper N/A 8.680 ± 0.262
7 Basic ML Nilavo Boral GitHub, Paper N/A 9.185 ± 0.000
8 NeuralFP Kexin Huang GitHub, Paper 480,193 9.292 ± 0.384
9 AttentiveFP Kexin Huang GitHub, Paper 300,806 9.373 ± 0.335
10 ContextPred Kexin Huang GitHub, Paper 2,067,053 9.445 ± 0.224
11 Euclia ML model Euclia GitHub, Paper 50 9.942 ± 0.121
12 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 9.994 ± 0.319
13 AttrMasking Kexin Huang GitHub, Paper 2,067,053 10.075 ± 0.202
14 GCN Kexin Huang GitHub, Paper 191,810 10.194 ± 0.373
15 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 11.106 ± 0.358
16 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 12.848 ± 0.362

: The lower the better.