R packages; Bioconductor repository

  • ropls: PCA, PLS(-DA) and OPLS(-DA) for multivariate analysis and feature selection of omics data.

  • biosigner: Signature discovery from omics data (in collaboration with P. Rinaudo).

  • proFIA: Preprocessing of FIA-HRMS data (PhD from A. Delabriere).

Galaxy modules; Galaxy toolshed

  • Batch Correction (in collaboration with JF. Martin, M. Pétéra, M. Landi and F. Giacomoni)

  • Quality Metrics (in collaboration with M. Pétéra)

  • Heatmap

  • Univariate (in collaboration with M. Tremblay)

  • Multivariate

  • Biosigner (in collaboration with P. Rinaudo)

Workflows and histories; Workflow4Metabolomics e-infrastructure

Data sets; MetaboLights repository

  • MTBLS148: Impact of collection conditions on the metabolite content of human urine samples as analyzed by liquid chromatography coupled to mass spectrometry and nuclear magnetic resonance spectroscopy.

  • MTBLS404: Analysis of the human adult urinary metabolome variations with age, body mass index and gender by implementing a comprehensive workflow for univariate and OPLS statistical analyses ('Sacurine' data set).