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Probabilistic metabolite annotation using retention time prediction and meta-learned projections

Retention time information is used for metabolite annotation in metabolomic experiments. But its usefulness is hindered by the availability of experimental retention time data in metabolomic databases, and by the lack of reproducibility between different chromatographic methods. Accurate prediction...

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Detalles Bibliográficos
Autores principales: García, Constantino A., Gil-de-la-Fuente, Alberto, Barbas, Coral, Otero, Abraham
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9172150/
https://www.ncbi.nlm.nih.gov/pubmed/35672784
http://dx.doi.org/10.1186/s13321-022-00613-8