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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 "ChemmineR" in publications use:'
type: software
license: Artistic-2.0
title: 'ChemmineR: Cheminformatics Toolkit for R'
version: 3.57.0
doi: 10.1093/bioinformatics/btn307
abstract: ChemmineR is a cheminformatics package for analyzing drug-like small molecule
  data in R. Its latest version contains functions for efficient processing of large
  numbers of molecules, physicochemical/structural property predictions, structural
  similarity searching, classification and clustering of compound libraries with a
  wide spectrum of algorithms. In addition, it offers visualization functions for
  compound clustering results and chemical structures.
authors:
- family-names: Girke
  given-names: Thomas
  email: thomas.girke@ucr.edu
- family-names: Cao
  given-names: Y. Eddie
- family-names: Horan
  given-names: Kevin
- family-names: Backman
  given-names: Tyler
preferred-citation:
  type: article
  title: 'ChemmineR: a compound mining framework for R'
  authors:
  - family-names: Cao
    given-names: Yiqun
  - family-names: Charisi
    given-names: Anna
  - family-names: Cheng
    given-names: Li-Chang
  - family-names: Jiang
    given-names: Tao
  - family-names: Girke
    given-names: Thomas
    email: thomas.girke@ucr.edu
  volume: '24'
  issn: 1367-4803
  url: http://dx.doi.org/10.1093/bioinformatics/btn307
  doi: 10.1093/bioinformatics/btn307
  issue: '15'
  journal: Bioinformatics
  publisher:
    name: Oxford University Press (OUP)
  year: '2008'
  month: '7'
  start: 1733–1734
repository: https://bioc.r-universe.dev
repository-code: https://github.com/girke-lab/ChemmineR
url: https://github.com/girke-lab/ChemmineR
date-released: '2023-11-07'
contact:
- family-names: Girke
  given-names: Thomas
  email: thomas.girke@ucr.edu