Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships

Spectral similarity is used as a proxy for structural similarity in many tandem mass spectrometry (MS/MS) based metabolomics analyses such as library matching and molecular networking. Although weaknesses in the relationship between spectral similarity scores and the true structural similarities hav...

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Detalles Bibliográficos
Autores principales: Huber, Florian, Ridder, Lars, Verhoeven, Stefan, Spaaks, Jurriaan H., Diblen, Faruk, Rogers, Simon, van der Hooft, Justin J. J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7909622/
https://www.ncbi.nlm.nih.gov/pubmed/33591968
http://dx.doi.org/10.1371/journal.pcbi.1008724

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7909622/
https://www.ncbi.nlm.nih.gov/pubmed/33591968
http://dx.doi.org/10.1371/journal.pcbi.1008724

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