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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 "MetChem" in publications use:'
type: software
license: GPL-2.0-or-later
title: 'MetChem: Chemical Structural Similarity Analysis'
version: '0.4'
doi: 10.32614/CRAN.package.MetChem
abstract: A new pipeline to explore chemical structural similarity across metabolite.
  It allows to classify metabolites in structurally-related modules and identify common
  shared functional groups. KODAMA algorithm is used to highlight structural similarity
  between metabolites. See Cacciatore S, Tenori L, Luchinat C, Bennett PR, MacIntyre
  DA. (2017) Bioinformatics <https://doi.org/10.1093/bioinformatics/btw705>, Cacciatore
  S, Luchinat C, Tenori L. (2014) Proc Natl Acad Sci USA <https://doi.org/10.1073/pnas.1220873111>,
  and Abdel-Shafy EA, Melak T, MacIntyre DA, Zadra G, Zerbini LF, Piazza S, Cacciatore
  S. (2023) Bioinformatics Advances <https://doi.org/10.1093/bioadv/vbad053>.
authors:
- family-names: Abdel-Shafy
  given-names: Ebtesam
- family-names: Melak
  given-names: Tadele
- family-names: MacIntyre
  given-names: David A.
- family-names: Zadra
  given-names: Giorgia
- family-names: Zerbini
  given-names: Luiz F.
- family-names: Piazza
  given-names: Silvano
- family-names: Cacciatore
  given-names: Stefano
  email: tkcaccia@gmail.com
repository: https://CRAN.R-project.org/package=MetChem
date-released: '2023-07-05'
contact:
- family-names: Cacciatore
  given-names: Stefano
  email: tkcaccia@gmail.com