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 Lantern RADR Ensemble Rick Fontenot GitHub, Paper 267,439 0.962 ± 0.003
2 Lantern RADR Logistic Regression Rick Fontenot GitHub, Paper 456 0.956 ± 0.006
3 Lantern RADR Deep Neural Network Rick Fontenot GitHub, Paper 266,881 0.949 ± 0.004
4 Lantern RADR Random Forest Rick Fontenot GitHub, Paper 319 0.928 ± 0.002
5 ZairaChem Gemma Turon GitHub, Paper N/A 0.910 ± 0.024
6 SimGCN Suman Kalyan Bera GitHub, Paper 1,103,000 0.901 ± 0.007
7 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.897 ± 0.004
8 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.892 ± 0.012
9 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.889 ± 0.016
10 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.855 ± 0.011
11 GCN Kexin Huang GitHub, Paper 191,810 0.842 ± 0.016
12 NeuralFP Kexin Huang GitHub, Paper 480,193 0.836 ± 0.009
13 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.823 ± 0.015
14 Basic ML Nilavo Boral GitHub, Paper N/A 0.811 ± 0.013
15 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.781 ± 0.030
16 Euclia ML model Euclia GitHub, Paper 50 0.725 ± 0.019

: The higher the better.