get.formula

obtain molecular formula from formula string

Allows the user to access functionality in the
'CDK', a Java framework for chemoinformatics. This allows the user to load
molecules, evaluate fingerprints, calculate molecular descriptors and so on.
In addition, the 'CDK' API allows the user to view structures in 2D.

Zachary CharlopPowers

rcdk

Interface to the 'CDK' Libraries

Rajarshi Guha

Zachary Charlop-Powers

Emma Schymanski

get.formula function

<dl><dt>mf</dt>
<dd>Required. Molecular formula</dd>
<dt>charge</dt>
<dd>Optional. Default <code>0</code></dd></dl>

Arguments

get.formula — get.formula

<dl>

<dt>mf</dt>
<dd>Required. Molecular formula</dd>


<dt>charge</dt>
<dd>Optional. Default <code>0</code></dd>

</dl>

get.formula: get.formula

Description

Usage

Arguments