get.title

Some molecules may not have a title (such as when parsing in a SMILES
with not title).

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.title function

<dl><dt>mol</dt>
<dd>The molecule to query. Should be a `jobjRef` representing an `IAtomContainer`</dd></dl>

Arguments

Rajarshi Guha (<a href="/link/rajarshi.guha%40gmail.com?package=rcdk&version=3.8.1" data-mini-rdoc="rcdk::rajarshi.guha@gmail.com">rajarshi.guha@gmail.com</a>)

Author

Get the title of the molecule. — get.title

<dl>

<dt>mol</dt>
<dd>The molecule to query. Should be a `jobjRef` representing an `IAtomContainer`</dd>

</dl>

Rajarshi Guha (<a href='mailto:rajarshi.guha@gmail.com'>rajarshi.guha@gmail.com</a>)

get.title: Get the title of the molecule.

Description

Usage

Value

Arguments

Author

See Also