rcdk

Interface to the 'CDK' Libraries

CRAN Package

Allows the user to access functionality in the 'CDK', a Java framework for chemoinformatics. 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.


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  • Depends1 package
  • Imports6 packages
  • Suggests5 packages
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