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# CITATION file created with {cffr} R package
# See also: https://docs.ropensci.org/cffr/
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cff-version: 1.2.0
message: 'To cite package "ropls" in publications use:'
type: software
license: CECILL-1.0
title: 'ropls: PCA, PLS(-DA) and OPLS(-DA) for multivariate analysis and feature selection
  of omics data'
version: 1.37.6
identifiers:
- type: doi
  value: 10.32614/CRAN.package.ropls
abstract: Latent variable modeling with Principal Component Analysis (PCA) and Partial
  Least Squares (PLS) are powerful methods for visualization, regression, classification,
  and feature selection of omics data where the number of variables exceeds the number
  of samples and with multicollinearity among variables. Orthogonal Partial Least
  Squares (OPLS) enables to separately model the variation correlated (predictive)
  to the factor of interest and the uncorrelated (orthogonal) variation. While performing
  similarly to PLS, OPLS facilitates interpretation. Successful applications of these
  chemometrics techniques include spectroscopic data such as Raman spectroscopy, nuclear
  magnetic resonance (NMR), mass spectrometry (MS) in metabolomics and proteomics,
  but also transcriptomics data. In addition to scores, loadings and weights plots,
  the package provides metrics and graphics to determine the optimal number of components
  (e.g. with the R2 and Q2 coefficients), check the validity of the model by permutation
  testing, detect outliers, and perform feature selection (e.g. with Variable Importance
  in Projection or regression coefficients). The package can be accessed via a user
  interface on the Workflow4Metabolomics.org online resource for computational metabolomics
  (built upon the Galaxy environment).
authors:
- family-names: Thevenot
  given-names: Etienne A.
  email: etienne.thevenot@cea.fr
  orcid: https://orcid.org/0000-0003-1019-4577
preferred-citation:
  type: article
  title: 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
  authors:
  - family-names: Thevenot
    given-names: E. A.
  - family-names: Roux
    given-names: A.
  - family-names: Xu
    given-names: Y.
  - family-names: Ezan
    given-names: E.
  - family-names: Junot
    given-names: C.
  journal: Journal of Proteome Research
  year: '2015'
  volume: '14'
  url: https://doi.org/10.1021/acs.jproteome.5b00354
  start: 3322-3335
repository: https://bioc.r-universe.dev
commit: 2b7797aee196dfcd2738b6ec21a705c3b193c752
url: https://doi.org/10.1021/acs.jproteome.5b00354
date-released: '2024-09-13'
contact:
- family-names: Thevenot
  given-names: Etienne A.
  email: etienne.thevenot@cea.fr
  orcid: https://orcid.org/0000-0003-1019-4577