Beyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark Set
datasetposted on 22.01.2019 by Eelke Bart Lenselink, N. (Niels) ten Dijke, Brandon Bongers, G. (George) Papadatos, Herman W. T. van Vlijmen, W. (Wotjek) Kowalczyk, Adriaan P. IJzerman, Gerard van Westen
Datasets usually provide raw data for analysis. This raw data often comes in spreadsheet form, but can be any collection of data, on which analysis can be performed.
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)