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Beyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark Set

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posted on 22.01.2019, 00:00 authored by Eelke Bart LenselinkEelke Bart Lenselink, N. (Niels) ten Dijke, Brandon BongersBrandon Bongers, G. (George) Papadatos, Herman W. T. van Vlijmen, W. (Wotjek) Kowalczyk, Adriaan P. IJzerman, Gerard van WestenGerard van Westen
This dataset contains the (standardized) data used in the experiments, alongside the scripts used to perform Deep Neural Nets (DNN_Scripts), and the other machine learning methods in both Pipeline Pilot (PP_protocols) and Python/Scikit-Learn (PY_scripts)



European Molecular Biology Laboratory; Leiden Academic Centre for Drug Research; Leiden Institute of Advanced Computer Science


4TU.Centre for Research Data


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