# --------------------------------------------
# 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 "structToolbox" in publications use:'
type: software
license: GPL-3.0-only
title: 'structToolbox: Data processing & analysis tools for Metabolomics and other
  omics'
version: 1.24.0
doi: 10.1093/bioinformatics/btaa1031
identifiers:
- type: doi
  value: 10.32614/CRAN.package.structToolbox
abstract: An extensive set of data (pre-)processing and analysis methods and tools
  for metabolomics and other omics, with a strong emphasis on statistics and machine
  learning. This toolbox allows the user to build extensive and standardised workflows
  for data analysis. The methods and tools have been implemented using class-based
  templates provided by the struct (Statistics in R Using Class-based Templates) package.
  The toolbox includes pre-processing methods (e.g. signal drift and batch correction,
  normalisation, missing value imputation and scaling), univariate (e.g. ttest, various
  forms of ANOVA, Kruskal–Wallis test and more) and multivariate statistical methods
  (e.g. PCA and PLS, including cross-validation and permutation testing) as well as
  machine learning methods (e.g. Support Vector Machines). Ontology terms have been
  integrated to provide standardised definitions for the different methods, inputs
  and outputs.
authors:
- family-names: Lloyd
  given-names: Gavin Rhys
  email: g.r.lloyd@bham.ac.uk
  orcid: https://orcid.org/0000-0001-7989-6695
- family-names: Weber
  given-names: Ralf Johannes Maria
  email: r.j.weber@bham.ac.uk
preferred-citation:
  type: article
  title: 'struct: an R/Bioconductor-based framework for standardized metabolomics
    data analysis and beyond'
  authors:
  - family-names: Lloyd
    given-names: Gavin Rhys
    email: g.r.lloyd@bham.ac.uk
    orcid: https://orcid.org/0000-0001-7989-6695
  - family-names: Jankevics
    given-names: Andris
  - family-names: Weber
    given-names: Ralf Johannes Maria
    email: r.j.weber@bham.ac.uk
  journal: Bioinformatics
  year: '2020'
  volume: '36'
  issue: 22-23
  url: https://doi.org/10.1093/bioinformatics/btaa1031
  start: 5551-5552
  doi: 10.1093/bioinformatics/btaa1031
repository: https://bioc-release.r-universe.dev
repository-code: https://github.com/computational-metabolomics/structToolbox
commit: 635292a734854826985f5e8f84ebfb4c8892fc63
url: https://computational-metabolomics.github.io/structToolbox/
date-released: '2026-04-28'
contact:
- family-names: Lloyd
  given-names: Gavin Rhys
  email: g.r.lloyd@bham.ac.uk
  orcid: https://orcid.org/0000-0001-7989-6695