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

Datacite citation style:
Lenselink, Eelke Bart; ten Dijke, N. (Niels); Bongers, Brandon; Papadatos, G. (George); van Vlijmen, Herman W. T. et. al. (2019): Beyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark Set. Version 2. 4TU.ResearchData. dataset. https://doi.org/10.4121/uuid:b64986dd-3203-445e-9b93-13a5ac7ef999
Other citation styles (APA, Harvard, MLA, Vancouver, Chicago, IEEE) available at Datacite
Dataset
choose version:
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, published, posted
publisher
4TU.Centre for Research Data
format
media types: application/pdf, application/x-gzip, application/zip, text/plain, text/x-python, text/xml
organizations
European Molecular Biology Laboratory;
Leiden Academic Centre for Drug Research;
Leiden Institute of Advanced Computer Science

DATA

files (1)