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MS2DeepScore: a novel deep learning similarity measure to compare tandem mass spectra

Mass spectrometry data is one of the key sources of information in many workflows in medicine and across the life sciences. Mass fragmentation spectra are generally considered to be characteristic signatures of the chemical compound they originate from, yet the chemical structure itself usually cann...

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Detalles Bibliográficos
Autores principales: Huber, Florian, van der Burg, Sven, van der Hooft, Justin J. J., Ridder, Lars
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8556919/
https://www.ncbi.nlm.nih.gov/pubmed/34715914
http://dx.doi.org/10.1186/s13321-021-00558-4