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Beyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark Set
View ORCID ProfileEelke B. Lenselink, Niels ten Dijke, View ORCID ProfileBrandon Bongers, View ORCID ProfileGeorge Papadatos, View ORCID ProfileHerman W.T. van Vlijmen, View ORCID ProfileWojtek Kowalczyk, View ORCID ProfileAdriaan P. IJzerman, View ORCID ProfileGerard J.P. van Westen
doi: https://doi.org/10.1101/168914
Eelke B. Lenselink
1Division of Medicinal Chemistry, Cluster Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands
Niels ten Dijke
2Leiden Institute of Advanced Computer Science, Leiden University, P.O. Box 9512, 2300 RA Leiden, The Netherlands
Brandon Bongers
1Division of Medicinal Chemistry, Cluster Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands
George Papadatos
3European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, Cambridge, United Kingdom
Herman W.T. van Vlijmen
1Division of Medicinal Chemistry, Cluster Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands
Wojtek Kowalczyk
2Leiden Institute of Advanced Computer Science, Leiden University, P.O. Box 9512, 2300 RA Leiden, The Netherlands
Adriaan P. IJzerman
1Division of Medicinal Chemistry, Cluster Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands
Gerard J.P. van Westen
1Division of Medicinal Chemistry, Cluster Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands
Article usage
Posted July 28, 2017.
Beyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark Set
Eelke B. Lenselink, Niels ten Dijke, Brandon Bongers, George Papadatos, Herman W.T. van Vlijmen, Wojtek Kowalczyk, Adriaan P. IJzerman, Gerard J.P. van Westen
bioRxiv 168914; doi: https://doi.org/10.1101/168914
Beyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark Set
Eelke B. Lenselink, Niels ten Dijke, Brandon Bongers, George Papadatos, Herman W.T. van Vlijmen, Wojtek Kowalczyk, Adriaan P. IJzerman, Gerard J.P. van Westen
bioRxiv 168914; doi: https://doi.org/10.1101/168914
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