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.

Interface to the 'CDK' Libraries

package-ubuntu-20.04-r-4.0.5#cran#rcdk-3.5.0

<p>obtain molecular formula from formula string
</p>

<table summary="R argblock">
<tr valign="top">
<td><code>mf</code></td>
<td>
<p>Required. Molecular formula</p>
</td>
</tr>
<tr valign="top">
<td><code>charge</code></td>
<td>
<p>Optional. Default <code>0</code></p>
</td>
</tr>
</table>

package-ubuntu-20.04-r-4.0.5#cran#rcdk-3.5.0#docs#get.formula

`mf`	Required. Molecular formula
`charge`	Optional. Default `0`

get.formula

Description

Usage

Arguments

rcdk

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