MESSAR: Automated recommendation of metabolite substructures from tandem mass spectra.

Liu, Youzhong; Mrzic, Aida; Meysman, Pieter; De Vijlder, Thomas; Romijn, Edwin P; Valkenborg, Dirk; Bittremieux, Wout; Laukens, Kris

Liu, Youzhong; Mrzic, Aida; Meysman, Pieter; De Vijlder, Thomas; Romijn, Edwin P; Valkenborg, Dirk; Bittremieux, Wout; Laukens, Kris.

Afiliação

Liu Y; Department of Mathematics and Computer Science, University of Antwerp, Antwerp, Belgium.
Mrzic A; Biomedical Informatics Network Antwerpen (biomina), University of Antwerp, Antwerp, Belgium.
Meysman P; Department of Mathematics and Computer Science, University of Antwerp, Antwerp, Belgium.
De Vijlder T; Biomedical Informatics Network Antwerpen (biomina), University of Antwerp, Antwerp, Belgium.
Romijn EP; Department of Mathematics and Computer Science, University of Antwerp, Antwerp, Belgium.
Valkenborg D; Biomedical Informatics Network Antwerpen (biomina), University of Antwerp, Antwerp, Belgium.
Bittremieux W; Pharmaceutical Development & Manufacturing Sciences (PDMS), Janssen Research & Development, Beerse, Belgium.
Laukens K; Pharmaceutical Development & Manufacturing Sciences (PDMS), Janssen Research & Development, Beerse, Belgium.

PLoS One ; 15(1): e0226770, 2020.

Article em En | MEDLINE | ID: mdl-31945070

Assuntos

Produtos Biológicos/análise; Bases de Dados Factuais; Metaboloma; Preparações Farmacêuticas/análise; Espectrometria de Massas em Tandem/métodos; Automação; Humanos

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Produtos Biológicos / Preparações Farmacêuticas / Bases de Dados Factuais / Espectrometria de Massas em Tandem / Metaboloma Limite: Humans Idioma: En Revista: PLoS One Assunto da revista: CIENCIA / MEDICINA Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Bélgica

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