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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 "chents" in publications use:'
type: software
license: GPL-1.0-only
title: 'chents: Chemical Entities as R Objects'
version: 0.3.6
doi: 10.32614/CRAN.package.chents
abstract: Utilities for dealing with chemical entities and associated data as R objects.
  If Python and RDKit (> 2015.03) are installed and configured for use with 'reticulate',
  some basic chemoinformatics functions like the calculation of molecular weight and
  plotting of chemical structures in R graphics are available.
authors:
- family-names: Ranke
  given-names: Johannes
  email: johannes.ranke@jrwb.de
repository: https://jranke.r-universe.dev
repository-code: https://github.com/jranke/chents
commit: 77189d666eb39d2660245c2f008175dc4560f647
url: https://pkgdown.jrwb.de/chents
date-released: '2024-08-05'
contact:
- family-names: Ranke
  given-names: Johannes
  email: johannes.ranke@jrwb.de