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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 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)

History

Contributors

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

Publisher

4TU.Centre for Research Data

Format

media types: application/pdf, application/x-gzip, application/zip, text/plain, text/x-python, text/xml