README.md
In jranke/chents: Chemical Entities as R Objects
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.
jranke/chents documentation built on April 8, 2024, 3:33 p.m.
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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.
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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