Predicting compound-protein interaction using hierarchical graph convolutional networks

Danh Bui-Thi; Emmanuel Rivière; Pieter Meysman; Kris Laukens

doi:10.1371/journal.pone.0258628

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Open Access

Peer-reviewed

Research Article

Predicting compound-protein interaction using hierarchical graph convolutional networks

Danh Bui-Thi,

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

Affiliation Adrem Data Lab, University of Antwerp, Antwerp, Belgium

https://orcid.org/0000-0002-4541-5547

⨯
Emmanuel Rivière,

Roles Data curation, Visualization, Writing – review & editing

Affiliation Adrem Data Lab, University of Antwerp, Antwerp, Belgium
⨯
Pieter Meysman,

Roles Conceptualization, Data curation, Project administration, Supervision, Writing – review & editing

Affiliation Adrem Data Lab, University of Antwerp, Antwerp, Belgium
⨯
Kris Laukens

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

* E-mail: kris.laukens@uantwerpen.be

Affiliation Adrem Data Lab, University of Antwerp, Antwerp, Belgium
⨯

Predicting compound-protein interaction using hierarchical graph convolutional networks

Danh Bui-Thi,
Emmanuel Rivière,
Pieter Meysman,
Kris Laukens

Published: July 21, 2022
https://doi.org/10.1371/journal.pone.0258628

About the Authors

Danh Bui-Thi

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

Affiliation Adrem Data Lab, University of Antwerp, Antwerp, Belgium

https://orcid.org/0000-0002-4541-5547

Emmanuel Rivière

Roles Data curation, Visualization, Writing – review & editing

Affiliation Adrem Data Lab, University of Antwerp, Antwerp, Belgium

Pieter Meysman

Roles Conceptualization, Data curation, Project administration, Supervision, Writing – review & editing

Affiliation Adrem Data Lab, University of Antwerp, Antwerp, Belgium

Kris Laukens

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

* E-mail: kris.laukens@uantwerpen.be

Affiliation Adrem Data Lab, University of Antwerp, Antwerp, Belgium

Competing Interests

The authors have declared that no competing interests exist.

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Forecasting
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Neural networks
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Drug interactions
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Deep learning
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Small molecules
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Protein interaction networks
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Protein sequencing
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Proteomic databases
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