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Multi-Task Neural Networks and Molecular Fingerprints to Enhance Compound Identification from LC-MS/MS Data

Mass spectrometry (MS) is widely used for the identification of chemical compounds by matching the experimentally acquired mass spectrum against a database of reference spectra. However, this approach suffers from a limited coverage of the existing databases causing a failure in the identification o...

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Detalles Bibliográficos
Autores principales:	Consonni, Viviana, Gosetti, Fabio, Termopoli, Veronica, Todeschini, Roberto, Valsecchi, Cecile, Ballabio, Davide
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9502453/ https://www.ncbi.nlm.nih.gov/pubmed/36144564 http://dx.doi.org/10.3390/molecules27185827

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