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 Python and RDKit (> 2015.03) are installed and configured for use with ‘reticulate’, some basic chemoinformatics functions 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.