Browsing by Author "Vinaixa, Maria"
Now showing items 1-5 of 5
-
Baitmet, a computational approach for GC–MS library-driven metabolite profiling
(2017-06-24)
Article
Open AccessCurrent computational tools for gas chromatography – mass spectrometry (GC – MS) metabolomics profiling do not focus on metabolite identification, that still remains as the entire workflow bottleneck and it relies on manual ... -
Enriquecimiento mediante vías metabólicas de datos de Cromatografía Líquida- Espectrometría de Masas a través de análisis espectral de grafos
(2014)
Conference report
Open AccessUna de las técnicas experimentales más extendidas en el ámbito de investigación biológica y la química analítica es la Cromatografía Líquida – Espectrometría de Masas, CL/EM, cuya salida informa sobre los compuestos presentes ... -
eRah: A Computational Tool Integrating Spectral Deconvolution and Alignment with Quantification and Identification of Metabolites in GC/MS-Based Metabolomics
(2016-10-04)
Article
Restricted access - publisher's policyGas chromatography coupled to mass spectrometry (GC/MS) has been a long-standing approach used for identifying small molecules due to the highly reproducible ionization process of electron impact ionization (EI). However, ... -
FELLA: an R package to enrich metabolomics data
(2018-12-22)
Article
Open AccessBackground: Pathway enrichment techniques are useful for understanding experimental metabolomics data. Their purpose is to give context to the affected metabolites in terms of the prior knowledge contained in metabolic ... -
Null diffusion-based enrichment for metabolomics data
(2017-12-06)
Article
Open AccessMetabolomics experiments identify metabolites whose abundance varies as the conditions under study change. Pathway enrichment tools help in the identification of key metabolic processes and in building a plausible biological ...
