There are two fragment methods implemented in the CDK
http://cdk.github.io/cdk/1.5/docs/api/org/openscience/cdk/fragment/ExhaustiveFragmenter.html
http://cdk.github.io/cdk/1.5/docs/api/org/openscience/cdk/fragment/MurckoFragmenter.html
(though I think the exhaustive method is a bit buggy on large molecules)
On Mon, Jul 6, 2015 at 12:53 AM, T. V. Siva Kumar <tvsivaku...@gmail.com>
wrote:
> Is there a way to represent and read the fragments inside a molecule? Will
> Smarts Query tool be able to take these fragments to perform matching?
> Thanks in advance.
>
>
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--
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
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