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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Principais autores:	Madeleine Ernst, Kyo Bin Kang, Andrés Mauricio Caraballo-Rodríguez, Louis-Felix Nothias, Joe Wandy, Christopher Chen, Mingxun Wang, Simon Rogers, Marnix H. Medema, Pieter C. Dorrestein, Justin J.J. van der Hooft
Formato:	Artigo
Idioma:	Inglês
Publicado em:	MDPI AG 2019-07-01
Colecção:	Metabolites
Assuntos:	chemical classification in silico workflows metabolite annotation metabolite identification metabolome mining molecular families networking substructures
Acesso em linha:	https://www.mdpi.com/2218-1989/9/7/144
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