<?xml version="1.0" encoding="UTF-8"?>
<oai_dc:dc xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:title>Interface to the 'CDK' Libraries</dc:title>
  <dc:title>R package rcdk version 3.8.2</dc:title>
  <dc:subject>CRAN Task View: ChemPhys (https://CRAN.R-project.org/view=ChemPhys)</dc:subject>
  <dc:description>Allows the user to access functionality in the
    'CDK', a Java framework for cheminformatics. This allows the user to load
    molecules, evaluate fingerprints, calculate molecular descriptors and so on.
    In addition, the 'CDK' API allows the user to view structures in 2D.</dc:description>
  <dc:type>Software</dc:type>
  <dc:relation>Depends: rcdklibs (&gt;= 2.9)</dc:relation>
  <dc:relation>Imports: fingerprint, rJava, methods, png, iterators, itertools</dc:relation>
  <dc:relation>Suggests: xtable, RUnit, knitr, rmarkdown, devtools</dc:relation>
  <dc:creator>Zachary Charlop-Powers &lt;zach.charlop.powers@gmail.com&gt;</dc:creator>
  <dc:publisher>Comprehensive R Archive Network (CRAN)</dc:publisher>
  <dc:contributor>Rajarshi Guha [aut, cph] (ORCID:
    &lt;https://orcid.org/0000-0001-7403-8819&gt;),
  Zachary Charlop-Powers [cre] (ORCID:
    &lt;https://orcid.org/0000-0001-8816-4680&gt;),
  Emma Schymanski [ctb] (ORCID: &lt;https://orcid.org/0000-0001-6868-8145&gt;),
  Egon Willighagen [ctb] (ORCID: &lt;https://orcid.org/0000-0001-7542-0286&gt;)</dc:contributor>
  <dc:rights>LGPL</dc:rights>
  <dc:date>2025-11-30</dc:date>
  <dc:format>application/tgz</dc:format>
  <dc:identifier>https://CRAN.R-project.org/package=rcdk</dc:identifier>
  <dc:identifier>doi:10.32614/CRAN.package.rcdk</dc:identifier>
</oai_dc:dc>
