TDC.Bioavailability_Ma Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.Bioavailability_Ma % 640 Binary AUROC Scaffold

Leaderboard

Rank Model Contact Link #Params AUROC
1 HistGradientBoostingClassifier (DeepMol) DeepMol Team Github, Paper N/A 0.753 ± 0
2 SimGCN Suman Kalyan Bera Github, Paper 1,103,000 0.748 ± 0.033
3 CFA Nan Jiang Github, Paper N/A 0.746 ± 0.03
4 MapLight + GNN Jim Notwell Github, Paper N/A 0.742 ± 0.01
5 MapLight Jim Notwell Github, Paper N/A 0.73 ± 0.01
6 ChemFM Feiyang Cai Github, Paper 13.0M 0.715 ± 0.011
7 ZairaChem Gemma Turon Github, Paper N/A 0.706 ± 0.031
8 RDKit2D + MLP (DeepPurpose) Kexin Huang Github, Paper 633,409 0.672 ± 0.021
9 ContextPred Kexin Huang Github, Paper 2,067,053 0.671 ± 0.026
10 Chemprop-RDKit Kyle Swanson Github, Paper N/A 0.667 ± 0.068
11 AttentiveFP Kexin Huang Github, Paper 300,806 0.632 ± 0.036
12 NeuralFP Kexin Huang Github, Paper 480,193 0.617 ± 0.009
13 DeepMol (AutoML) DeepMol Team Github, Paper N/A 0.613 ± 0.015