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 XGBoost Hao Tian GitHub, Paper 29 8.251 ± 0.115
2 BaseBoosting Andrew Li GitHub, Paper 40 8.503 ± 0.023
3 NeuralFP Kexin Huang GitHub, Paper 480,193 9.292 ± 0.384
4 AttentiveFP Kexin Huang GitHub, Paper 300,806 9.373 ± 0.335
5 ContextPred Kexin Huang GitHub, Paper 2,067,053 9.445 ± 0.224
6 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 9.994 ± 0.319
7 AttrMasking Kexin Huang GitHub, Paper 2,067,053 10.075 ± 0.202
8 GCN Kexin Huang GitHub, Paper 191,810 10.194 ± 0.373
9 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 11.106 ± 0.358
10 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 12.848 ± 0.362

: The lower the better.