TDC.PPBR_AZ Leaderboard

Dataset Summary

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

Leaderboard

Rank Model Contact Link #Params MAE
1 Chemprop Kyle Swanson GitHub, Paper N/A 7.811 ± 0.163
2 BaseBoosting KyQVZ6b2 David Huang GitHub, Paper N/A 7.914 ± 0.096
3 Chemprop-RDKit Kyle Swanson GitHub, Paper N/A 8.312 ± 0.180
4 Basic ML Nilavo Boral GitHub, Paper N/A 9.185 ± 0.000
5 NeuralFP Kexin Huang GitHub, Paper 480,193 9.292 ± 0.384
6 AttentiveFP Kexin Huang GitHub, Paper 300,806 9.373 ± 0.335
7 ContextPred Kexin Huang GitHub, Paper 2,067,053 9.445 ± 0.224
8 Euclia ML model Euclia GitHub, Paper 50 9.942 ± 0.121
9 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 9.994 ± 0.319
10 AttrMasking Kexin Huang GitHub, Paper 2,067,053 10.075 ± 0.202
11 GCN Kexin Huang GitHub, Paper 191,810 10.194 ± 0.373
12 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 11.106 ± 0.358
13 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 12.848 ± 0.362

: The lower the better.