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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 "ChemmineOB" in publications use:'
type: software
license: Artistic-2.0
title: 'ChemmineOB: R interface to a subset of OpenBabel functionalities'
version: 1.43.0
abstract: ChemmineOB provides an R interface to a subset of cheminformatics functionalities
  implemented by the OpelBabel C++ project. OpenBabel is an open source cheminformatics
  toolbox that includes utilities for structure format interconversions, descriptor
  calculations, compound similarity searching and more. ChemineOB aims to make a subset
  of these utilities available from within R. For non-developers, ChemineOB is primarily
  intended to be used from ChemmineR as an add-on package rather than used directly.
authors:
- family-names: Girke
  given-names: Thomas
  email: thomas.girke@ucr.edu
- family-names: Horan
  given-names: Kevin
repository: https://bioc.r-universe.dev
repository-code: https://github.com/girke-lab/ChemmineOB
url: https://github.com/girke-lab/ChemmineOB
date-released: '2024-02-27'
contact:
- family-names: Girke
  given-names: Thomas
  email: thomas.girke@ucr.edu