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SIMILE enables alignment of tandem mass spectra with statistical significance

Interrelating small molecules according to their aligned fragmentation spectra is central to tandem mass spectrometry-based untargeted metabolomics. Current alignment algorithms do not provide statistical significance and compounds that have multiple delocalized structural differences and therefore...

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Detalles Bibliográficos
Autores principales:	Treen, Daniel G. C., Wang, Mingxun, Xing, Shipei, Louie, Katherine B., Huan, Tao, Dorrestein, Pieter C., Northen, Trent R., Bowen, Benjamin P.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9076661/ https://www.ncbi.nlm.nih.gov/pubmed/35523965 http://dx.doi.org/10.1038/s41467-022-30118-9

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