ASICS: Automatic Statistical Identification in Complex Spectra (R package, available on Bioconductor)

Gaëlle Lefort (1) , Rémi Servien (2) , Patrick Tardivel (3) , Nathalie Vialaneix (1)

1 MIAT INRA - Unité de Mathématiques et Informatique Appliquées de Toulouse
2 InTheRes - Innovations Thérapeutiques et Résistances
3 IMT - Institut de Mathématiques de Toulouse UMR5219

With a set of pure metabolite reference spectra, ASICS quantifies concentration of metabolites in a complex spectrum. The identification of metabolites is performed by fitting a mixture model to the spectra of the library with a sparse penalty. The method and its statistical properties are described in Tardivel et al. (2017).

Mots clés: 1H NMR

Mots clés: metabolomics; quantification

Domaines: Mathématiques [math]; Informatique [cs]; Sciences du Vivant [q-bio]

Gaëlle Lefort, Rémi Servien, Patrick Tardivel, Nathalie Vialaneix. ASICS: Automatic Statistical Identification in Complex Spectra (R package, available on Bioconductor). 2017. ⟨hal-02790128⟩