MolNetEnhancer: Enhanced Molecular Networks by Integrating Metabolome Mining and Annotation Tools

Metabolomics has started to embrace computational approaches for chemical interpretation of large data sets. Yet, metabolite annotation remains a key challenge. Recently, molecular networking and MS2LDA emerged as molecular mining tools that find molecular families and substructures in mass spectrom...

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Veröffentlicht in:	Metabolites Jg. 9; H. 7; S. 144
Hauptverfasser:	Ernst, Madeleine, Kang, Kyo Bin, Caraballo-Rodríguez, Andrés Mauricio, Nothias, Louis-Felix, Wandy, Joe, Chen, Christopher, Wang, Mingxun, Rogers, Simon, Medema, Marnix H., Dorrestein, Pieter C., van der Hooft, Justin J.J.
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Switzerland MDPI AG 16.07.2019 MDPI
Schlagworte:	Annotations chemical classification Computer applications in silico workflows Libraries Mass spectrometry Mass spectroscopy metabolite annotation metabolite identification metabolome mining Metabolomics molecular families Natural products networking Propagation Scientific imaging Software packages substructures metabolite annotation substructures molecular families in silico workflows metabolome mining chemical classification networking metabolite identification
ISSN:	2218-1989, 2218-1989
Online-Zugang:	Volltext
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