%0 Generic %A Lenselink, Eelke Bart %A ten Dijke, N. (Niels) %A Bongers, Brandon %A Papadatos, G. (George) %A van Vlijmen, Herman W. T. %A Kowalczyk, W. (Wotjek) %A IJzerman, Adriaan P. %A Van westen, Gerard JP %D 2017 %T Beyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark Set [version 1] %U https://data.4tu.nl/articles/dataset/Beyond_the_Hype_Deep_Neural_Networks_Outperform_Established_Methods_Using_A_ChEMBL_Bioactivity_Benchmark_Set_version_1_/12694478/1 %R 10.4121/uuid:547e8014-d662-4852-9840-c1ef065d03ef %K ChEMBL %K Cheminformatics %K Chemogenomics %K Deep Neural Networks %K Proteochemometrics %K QSAR %K Quantitative structure-activity relationship %X 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) %I Leiden University