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Open Access
Peer-reviewed
Research Article
speaq 2.0: A complete workflow for high-throughput 1D NMR spectra processing and quantification
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Charlie Beirnaert ,
Roles Conceptualization, Investigation, Methodology, Software, Validation, Visualization, Writing – original draft
* E-mail: charlie.beirnaert@uantwerpen.be (CB); kris.laukens@uantwerpen.be (KL)
Affiliations Adrem Data Lab, Department of Mathematics and Computer Science, University of Antwerp, Antwerp, Belgium, Biomedical Informatics Network Antwerp (biomina), University of Antwerp, Antwerp, Belgium
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Pieter Meysman,
Roles Conceptualization, Investigation, Methodology, Supervision, Writing – review & editing
Affiliations Adrem Data Lab, Department of Mathematics and Computer Science, University of Antwerp, Antwerp, Belgium, Biomedical Informatics Network Antwerp (biomina), University of Antwerp, Antwerp, Belgium
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Trung Nghia Vu,
Roles Conceptualization, Software, Writing – review & editing
Affiliation Department of Medical Epidemiology and Biostatistics, Karolinska Institutet, Stockholm, Sweden
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Nina Hermans,
Roles Writing – review & editing
Affiliation Natural Products & Food Research and Analysis (NatuRA), Department of Pharmaceutical Sciences, University of Antwerp, Wilrijk, Belgium
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Sandra Apers †,
† Deceased.
Roles Conceptualization, Funding acquisition, Project administration
Affiliation Natural Products & Food Research and Analysis (NatuRA), Department of Pharmaceutical Sciences, University of Antwerp, Wilrijk, Belgium
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Luc Pieters,
Roles Conceptualization, Funding acquisition, Project administration, Writing – review & editing
Affiliation Natural Products & Food Research and Analysis (NatuRA), Department of Pharmaceutical Sciences, University of Antwerp, Wilrijk, Belgium
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Adrian Covaci,
Roles Conceptualization, Funding acquisition, Project administration, Supervision, Writing – review & editing
Affiliation Toxicological Center, Department of Pharmaceutical Sciences, University of Antwerp, Wilrijk, Belgium
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Kris Laukens
Roles Conceptualization, Funding acquisition, Methodology, Project administration, Software, Supervision, Writing – original draft, Writing – review & editing
* E-mail: charlie.beirnaert@uantwerpen.be (CB); kris.laukens@uantwerpen.be (KL)
Affiliations Adrem Data Lab, Department of Mathematics and Computer Science, University of Antwerp, Antwerp, Belgium, Biomedical Informatics Network Antwerp (biomina), University of Antwerp, Antwerp, Belgium
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speaq 2.0: A complete workflow for high-throughput 1D NMR spectra processing and quantification
- Charlie Beirnaert,
- Pieter Meysman,
- Trung Nghia Vu,
- Nina Hermans,
- Sandra Apers,
- Luc Pieters,
- Adrian Covaci,
- Kris Laukens
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- Published: March 1, 2018
- https://doi.org/10.1371/journal.pcbi.1006018