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# chents

The R package **chents** provides some utilities for working with chemical 
entities in R, made available under the GNU public license.
This means:

    This program is free software: you can redistribute it and/or modify it under
    the terms of the GNU General Public License as published by the Free Software
    Foundation, either version 3 of the License, or (at your option) any later
    version.

    This program is distributed in the hope that it will be useful, but WITHOUT
    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
    FOR A PARTICULAR PURPOSE.  See the GNU General Public License for more
    details.

    You should have received a copy of the GNU General Public License along with
    this program. If not, see <http://www.gnu.org/licenses/>

## 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

Some examples are available from the 
[Reference on github](https://jranke.github.io/chents/reference.html).

Contact - Imprint