cff-version: 1.2.0 abstract: "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)" authors: - family-names: Lenselink given-names: Eelke Bart orcid: "https://orcid.org/0000-0001-5459-2978" - family-names: ten Dijke given-names: N. (Niels) - family-names: Bongers given-names: Brandon orcid: "https://orcid.org/0000-0003-1322-2369" - family-names: Papadatos given-names: G. (George) orcid: "https://orcid.org/0000-0002-8314-7061" - family-names: van Vlijmen given-names: Herman W. T. orcid: "https://orcid.org/0000-0002-1915-3141" - family-names: Kowalczyk given-names: W. (Wotjek) - family-names: IJzerman given-names: Adriaan P. orcid: "https://orcid.org/0000-0002-1182-2259" - family-names: Van westen given-names: Gerard JP orcid: "https://orcid.org/0000-0003-0717-1817" title: "Beyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark Set [version 1]" keywords: version: 1 identifiers: - type: doi value: 10.4121/uuid:547e8014-d662-4852-9840-c1ef065d03ef license: 4TU General Terms of Use date-released: 2017-07-31