# ------------------------------------------------
# CITATION.cff file created with {cffr} R package
# See also: https://docs.ropensci.org/cffr/
# ------------------------------------------------
 
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: 0.4.2
doi: 10.32614/CRAN.package.chents
abstract: When working with data on chemical substances, we often need a reliable
  link between the data and the chemical identity of the substances. The R package
  'chents' provides a way to define an R object corresponding to a chemically defined
  substances, i.e. a chemical entity and to collect related information. 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://agroscope-ch.r-universe.dev
repository-code: https://github.com/jranke/chents
commit: 7c84d4ac9d1178717fba6d1f0c988c8ed2834980
url: https://pkgdown.jrwb.de/chents/
date-released: '2026-07-03'
contact:
- family-names: Ranke
  given-names: Johannes
  email: johannes.ranke@jrwb.de