TDC.Caco2_Wang Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.Caco2_Wang cm/s 906 Regression MAE Scaffold

Leaderboard

Rank Model Contact Link #Params MAE
1 MapLight Jim Notwell Github, Paper N/A 0.276 ± 0.005
2 BaseBoosting Andrew Li Github, Paper 365,713 0.285 ± 0.005
3 MapLight + GNN Jim Notwell Github, Paper N/A 0.287 ± 0.005
4 MolMapNet-D Shen Wan Xiang Github, Paper 407,617 0.287 ± 0.005
5 XGBoost Andrew Li Github, Paper 12 0.289 ± 0.011
6 DeepMol (AutoML) DeepMol Team Github, Paper N/A 0.297 ± 0.008
7 Basic ML Nilavo Boral Github, Paper N/A 0.321 ± 0.005
8 ChemFM Feiyang Cai Github, Paper 12.6M 0.322 ± 0.026
9 Chemprop-RDKit Kyle Swanson Github, Paper N/A 0.33 ± 0.024
10 CFA Nan Jiang Github, Paper N/A 0.335 ± 0.033
11 Euclia ML model Euclia Github, Paper 50 0.341 ± 0.004
12 Chemprop Kyle Swanson Github, Paper N/A 0.344 ± 0.015
13 RDKit2D + MLP (DeepPurpose) Kexin Huang Github, Paper 633,409 0.393 ± 0.024