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...

Descripción completa

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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9502453/
https://www.ncbi.nlm.nih.gov/pubmed/36144564
http://dx.doi.org/10.3390/molecules27185827

Ejemplares similares