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.
