Skip to content
master
Switch branches/tags
Code

Latest commit

Unfortunately, tests only pass sometimes, it seems PubChem is not always
responding
898d598

Git stats

Files

Permalink
Failed to load latest commit information.
Type
Name
Latest commit message
Commit time
R
 
 
 
 
 
 
man
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 

chents

Build Status codecov

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.

About

Chemical entities as R objects

Resources

Releases

No releases published

Packages

No packages published