Machine Learning-Based Retention Time Prediction of Trimethylsilyl Derivatives of Metabolites

In gas chromatography–mass spectrometry-based untargeted metabolomics, metabolites are identified by comparing mass spectra and chromatographic retention time with reference databases or standard materials. In that sense, machine learning has been used to predict the retention time of metabolites la...

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Detalles Bibliográficos
Autores principales: de Cripan, Sara M., Cereto-Massagué, Adrià, Herrero, Pol, Barcaru, Andrei, Canela, Núria, Domingo-Almenara, Xavier
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9024754/
https://www.ncbi.nlm.nih.gov/pubmed/35453629
http://dx.doi.org/10.3390/biomedicines10040879

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9024754/
https://www.ncbi.nlm.nih.gov/pubmed/35453629
http://dx.doi.org/10.3390/biomedicines10040879

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