README.md


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# chents

[![Build Status](https://travis-ci.com/jranke/chents.svg?branch=main)](https://travis-ci.com/jranke/chents)
[![codecov](https://codecov.io/github/jranke/chents/branch/main/graphs/badge.svg)](https://codecov.io/github/jranke/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

## Examples

Some examples are available from the 
[reference on jrwb.de](http://pkgdown.jrwb.de/chents/reference).