TDC.CYP2C9_Substrate_CarbonMangels Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.CYP2C9_Substrate_CarbonMangels % 666 Binary AUPRC Scaffold

Leaderboard

Rank Model Contact Link #Params AUPRC
1 ZairaChem Gemma Turon Github, Paper N/A 0.441 ± 0.033
2 MapLight + GNN Jim Notwell Github, Paper N/A 0.437 ± 0.008
3 Random Forest Andrew Li Github, Paper 9 0.437 ± 0.022
4 SimGCN Suman Kalyan Bera Github, Paper https://github.com/KatanaGraph/SimGCN-TDC/blob/main/Report_SimGCN_for_TDC_Benchmarks.pdf 0.433 ± 0.017
5 CFA Nan Jiang Github, Paper N/A 0.417 ± 0.01
6 DeepMol (AutoML) DeepMol Team Github, Paper N/A 0.417 ± 0.005
7 MapLight Jim Notwell Github, Paper N/A 0.415 ± 0.008
8 Chemprop-RDKit Kyle Swanson Github, Paper N/A 0.4 ± 0.008
9 ContextPred Kexin Huang Github, Paper 2,067,053 0.392 ± 0.026
10 Chemprop Kyle Swanson Github, Paper N/A 0.382 ± 0.019
11 AttrMasking Kexin Huang Github, Paper 2,067,053 0.381 ± 0.045