chents
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