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Improving MetFrag with statistical learning of fragment annotations

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 we presen...

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Pubblicato in:BMC Bioinformatics
Autori principali: Ruttkies, Christoph, Neumann, Steffen, Posch, Stefan
Natura: Artigo
Lingua:Inglês
Pubblicazione: BioMed Central 2019
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6612146/
https://ncbi.nlm.nih.gov/pubmed/31277571
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s12859-019-2954-7
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