TDC.Half_Life_Obach Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.Half_Life_Obach hr 667 Regression Spearman Scaffold

Leaderboard

Rank Model Contact Link #Params Spearman
1 CFA Nan Jiang Github, Paper N/A 0.576 ± 0.025
2 MapLight Jim Notwell Github, Paper N/A 0.562 ± 0.008
3 MapLight + GNN Jim Notwell Github, Paper N/A 0.557 ± 0.034
4 ChemFM Feiyang Cai Github, Paper 6.5M 0.551 ± 0.02
5 Euclia ML model Euclia Github, Paper 50 0.547 ± 0.032
6 Voting Regressor (KNN, SVM) Euclia Github, Paper 5 0.544 ± 0.034
7 DeepMol (AutoML) DeepMol Team Github, Paper N/A 0.485 ± 0.039
8 Basic ML Nilavo Boral Github, Paper N/A 0.438 ± 0.011
9 SimGCN Suman Kalyan Bera Github, Paper 1,103,000 0.392 ± 0.065
10 Morgan + MLP (DeepPurpose) Kexin Huang Github, Paper 1,477,185 0.329 ± 0.083
11 Chemprop Kyle Swanson Github, Paper N/A 0.265 ± 0.032
12 Chemprop-RDKit Kyle Swanson Github, Paper N/A 0.239 ± 0.019