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peakPantheR, an R package for large-scale targeted extraction and integration of annotated metabolic features in LC–MS profiling datasets

SUMMARY: Untargeted liquid chromatography–mass spectrometry (LC–MS) profiling assays are capable of measuring thousands of chemical compounds in a single sample, but unreliable feature extraction and metabolite identification remain considerable barriers to their interpretation and usefulness. peakP...

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Detalles Bibliográficos
Autores principales: Wolfer, Arnaud M, D S Correia, Gonçalo, Sands, Caroline J, Camuzeaux, Stephane, Yuen, Ada H Y, Chekmeneva, Elena, Takáts, Zoltán, Pearce, Jake T M, Lewis, Matthew R
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8665750/
https://www.ncbi.nlm.nih.gov/pubmed/34125879
http://dx.doi.org/10.1093/bioinformatics/btab433