Autor según el artículo: Cañueto D, Gómez J, Salek RM, Correig X, Cañellas N.

Departamento: Enginyeria Electrònica, Elèctrica i Automàtica

Autor/es de la URV: Cañellas Alberich, Nicolau / Correig Blanchar, Francesc Xavier

Palabras clave: Reproducibility R software package Profiling Open-source software Nmr Metabolite identification Metabolite Automatic profiling open-source software nmr metabolite identification automatic profiling

Resumen: Introduction Adoption of automatic profiling tools for 1H-NMR-based metabolomic studies still lags behind other approaches in the absence of the flexibility and interactivity necessary to adapt to the properties of study data sets of complex matrices. Objectives To provide an open source tool that fully integrates these needs and enables the reproducibility of the profiling process. Methods rDolphin incorporates novel techniques to optimize exploratory analysis, metabolite identification, and validation of profiling output quality. Results The information and quality achieved in two public datasets of complex matrices are maximized. Conclusion rDolphin is an open-source R package (http://github.com/danielcanueto/rDolphin) able to provide the best balance between accuracy, reproducibility and ease of use.

Áreas temáticas: Química Odontología Engenharias iv Endocrinology, diabetes and metabolism Endocrinology & metabolism Educação física Clinical biochemistry Ciências biológicas ii Ciências agrárias i Biotecnología Biochemistry

Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/

ISSN: 15733882

Direcció de correo del autor: xavier.correig@urv.cat nicolau.canyellas@urv.cat

Identificador del autor: 0000-0002-6902-3054 0000-0003-4856-8132

Fecha de alta del registro: 2023-02-18

Versión del articulo depositado: info:eu-repo/semantics/submittedVersion

Enlace a la fuente original: https://link.springer.com/article/10.1007/s11306-018-1319-y

URL Documento de licencia: http://repositori.urv.cat/ca/proteccio-de-dades/

Referencia al articulo segun fuente origial: Metabolomics. 14 (3): 24/1-24/5

Referencia de l'ítem segons les normes APA: Cañueto D, Gómez J, Salek RM, Correig X, Cañellas N. (2018). rDolphin: a GUI R package for proficient automatic profiling of 1D 1H-NMR spectra of study datasets. Metabolomics, 14(3), 24/1-24/5. DOI: 10.1007/s11306-018-1319-y

DOI del artículo: 10.1007/s11306-018-1319-y

Entidad: Universitat Rovira i Virgili

Año de publicación de la revista: 2018

Tipo de publicación: Journal Publications