Beyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark Set [version 1]

Datacite citation style

Lenselink, Eelke Bart; ten Dijke, N. (Niels); Bongers, Brandon; Papadatos, G. (George); van Vlijmen, Herman W. T. et. al. (2017): Beyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark Set [version 1]. Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/uuid:547e8014-d662-4852-9840-c1ef065d03ef
Other citation styles (APA, Harvard, MLA, Vancouver, Chicago, IEEE) available at Datacite

Dataset

Version 2 - 2019-01-22 (latest)
Version 1 - 2017-07-31
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

  • 2019-01-22 first online
  • 2017-07-31 published, posted

Publisher

Leiden University

Format

media types: application/pdf, application/x-7z-compressed, application/x-gzip, application/zip, text/plain, text/x-c++, text/xml

Organizations

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

DATA

Files (3)