10.4121/uuid:547e8014-d662-4852-9840-c1ef065d03ef

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

Eelke Bart Lenselink, N. (Niels) ten Dijke, Brandon Bongers, G. (George) Papadatos, Herman W. T. van Vlijmen, W. (Wotjek) Kowalczyk, Adriaan P. IJzerman, Gerard JP 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)

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