Predicting the target landscape of kinase inhibitors using 3D convolutional neural networks

• Georgi K. Kanev,

  Roles Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Software, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliations Division of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Vrije Universiteit Amsterdam, Amsterdam, The Netherlands, Department of Neurosurgery, Amsterdam University Medical Centers, Cancer Center Amsterdam, Brain Tumor Center Amsterdam, Amsterdam, The Netherlands

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• Yaran Zhang,

  Roles Data curation, Formal analysis, Investigation, Methodology, Validation, Writing – review & editing

  Affiliation Department of Neurosurgery, Amsterdam University Medical Centers, Cancer Center Amsterdam, Brain Tumor Center Amsterdam, Amsterdam, The Netherlands

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• Albert J. Kooistra,

  Roles Resources, Writing – review & editing

  Affiliations Division of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Vrije Universiteit Amsterdam, Amsterdam, The Netherlands, Department of Drug Design and Pharmacology, University of Copenhagen, Copenhagen, Denmark

  https://orcid.org/0000-0001-5514-6021

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• Andreas Bender,

  Roles Writing – review & editing

  Affiliation Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Cambridge, United Kingdom

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• Rob Leurs,

  Roles Writing – review & editing

  Affiliation Division of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Vrije Universiteit Amsterdam, Amsterdam, The Netherlands

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• David Bailey,

  Roles Funding acquisition, Supervision, Writing – review & editing

  Affiliations The WINDOW consortium, www.window-consortium.org, IOTA Pharmaceuticals Ltd, St Johns Innovation Centre, Cambridge, United Kingdom

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• Thomas Würdinger,

  Roles Funding acquisition, Project administration, Supervision, Writing – review & editing

  Affiliations Department of Neurosurgery, Amsterdam University Medical Centers, Cancer Center Amsterdam, Brain Tumor Center Amsterdam, Amsterdam, The Netherlands, The WINDOW consortium, www.window-consortium.org

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• Chris de Graaf,

  Roles Funding acquisition, Supervision, Writing – review & editing

  Current address: Heptares Therapeutics, Steinmetz Building, Granta Park, Great Abington, Cambridge, United Kingdom

  Affiliation Division of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Vrije Universiteit Amsterdam, Amsterdam, The Netherlands

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• Iwan J. P. de Esch,

  Roles Formal analysis, Project administration, Supervision, Writing – review & editing

  Affiliation Division of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Vrije Universiteit Amsterdam, Amsterdam, The Netherlands

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• Bart A. Westerman

  Roles Conceptualization, Funding acquisition, Investigation, Methodology, Project administration, Supervision, Validation, Writing – original draft, Writing – review & editing

  * E-mail: a.westerman@amsterdamumc.nl

  Affiliations Department of Neurosurgery, Amsterdam University Medical Centers, Cancer Center Amsterdam, Brain Tumor Center Amsterdam, Amsterdam, The Netherlands, The WINDOW consortium, www.window-consortium.org

  https://orcid.org/0000-0002-9898-9616

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