TDC.BBB_Martins Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.BBB_Martins % 1,975 Binary AUROC Scaffold

Leaderboard

Rank Model Contact Link #Params AUROC
1 CFA Nan Jiang GitHub, Paper N/A 0.920 ± 0.006
2 MapLight Jim Notwell GitHub, Paper N/A 0.916 ± 0.001
3 Lantern RADR Ensemble Rick Fontenot GitHub, Paper N/A 0.915 ± 0.002
4 MapLight + GNN Jim Notwell GitHub, Paper N/A 0.913 ± 0.001
5 Lantern RADR Deep Neural Network Rick Fontenot GitHub, Paper N/A 0.912 ± 0.003
6 ZairaChem Gemma Turon GitHub, Paper N/A 0.910 ± 0.024
7 Lantern RADR Random Forest Rick Fontenot GitHub, Paper 319 0.908 ± 0.002
8 Lantern RADR SVM Rick Fontenot GitHub, Paper 241 0.905 ± 0.007
9 Lantern RADR Logistic Regression Rick Fontenot GitHub, Paper 456 0.903 ± 0.002
10 SimGCN Suman Kalyan Bera GitHub, Paper 1,103,000 0.901 ± 0.007
11 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.897 ± 0.004
12 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.892 ± 0.012
12 CMPNN Devansh Amin GitHub, Paper 3.0 M 0.89 ± 0.016
13 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.889 ± 0.016
14 Chemprop-RDKit Kyle Swanson GitHub, Paper N/A 0.869 ± 0.027
14 DeepMol (AutoML) DeepMol Team GitHub, Paper N/A 0.868 ± 0.007
15 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.855 ± 0.011
16 GCN Kexin Huang GitHub, Paper 191,810 0.842 ± 0.016
17 NeuralFP Kexin Huang GitHub, Paper 480,193 0.836 ± 0.009
18 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.823 ± 0.015
19 Chemprop Kyle Swanson GitHub, Paper N/A 0.821 ± 0.112
20 Basic ML Nilavo Boral GitHub, Paper N/A 0.811 ± 0.013
21 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.781 ± 0.030
22 Euclia ML model Euclia GitHub, Paper 50 0.725 ± 0.019

: The higher the better.