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Chemical entities as R objects
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README.md

chents

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The R package chents provides some utilities for working with chemical entities in R.

Features

  • Some chemical information is retrieved from the PubChem website using the webchem package
  • If PythonInR is installed and configured, and RDKit is available via PythonInR, some additional chemical information is computed and a 2D graph can be plotted
  • Additional information can be read from a local .yaml file

Examples

Some examples are available from the reference on jrwb.de.

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