TY - DATA
T1 - Beyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark Set [version 1]
PY - 2017/07/31
AU - Eelke Bart Lenselink
AU - N. (Niels) ten Dijke
AU - Brandon Bongers
AU - G. (George) Papadatos
AU - Herman W. T. van Vlijmen
AU - W. (Wotjek) Kowalczyk
AU - Adriaan P. IJzerman
AU - Gerard JP Van westen
UR - 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
DO - 10.4121/uuid:547e8014-d662-4852-9840-c1ef065d03ef
KW - ChEMBL
KW - Cheminformatics
KW - Chemogenomics
KW - Deep Neural Networks
KW - Proteochemometrics
KW - QSAR
KW - Quantitative structure-activity relationship
N2 - 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)
ER -