2021
DOI: 10.3390/metabo11040211
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gcProfileMakeR: An R Package for Automatic Classification of Constitutive and Non-Constitutive Metabolites

Abstract: Metabolomes comprise constitutive and non-constitutive metabolites produced due to physiological, genetic or environmental effects. However, finding constitutive metabolites and non-constitutive metabolites in large datasets is technically challenging. We developed gcProfileMakeR, an R package using standard Excel output files from an Agilent Chemstation GC-MS for automatic data analysis using CAS numbers. gcProfileMakeR has two filters for data preprocessing removing contaminants and low-quality peaks. The fi… Show more

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Cited by 3 publications
(1 citation statement)
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“…This package enables users to start with a dataset of integrated and identified peaks, and associated sample metadata, and perform filtering steps of their choosing (described above). As such, this package differs from the recently developed gcProfileMakeR (Perez-Sanz et al, 2021), which enables users to identify metabolites that are produced constitutively or non-constitutively. Supplementary material 4 provides an introductory vignette with an example dataset, and complete documentation of each function is included in the package.…”
Section: Compound Filteringmentioning
confidence: 99%
“…This package enables users to start with a dataset of integrated and identified peaks, and associated sample metadata, and perform filtering steps of their choosing (described above). As such, this package differs from the recently developed gcProfileMakeR (Perez-Sanz et al, 2021), which enables users to identify metabolites that are produced constitutively or non-constitutively. Supplementary material 4 provides an introductory vignette with an example dataset, and complete documentation of each function is included in the package.…”
Section: Compound Filteringmentioning
confidence: 99%