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Improving MetFrag with statistical learning of fragment annotations

Abstract Background Molecule identification is a crucial step in metabolomics and environmental sciences. Besides in silico fragmentation, as performed by MetFrag, also machine learning and statistical methods evolved, showing an improvement in molecule annotation based on MS/MS data. In this work w...

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Detalhes bibliográficos
Main Authors: Christoph Ruttkies, Steffen Neumann, Stefan Posch
Formato: Artigo
Idioma:Inglês
Publicado em: BMC 2019-07-01
Colecção:BMC Bioinformatics
Assuntos:
Acesso em linha:http://link.springer.com/article/10.1186/s12859-019-2954-7
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