On Mon, Aug 27, 2012 at 7:12 PM, lochana menikarachchi
<[email protected]> wrote:
> Is it possible to create a custom fingerprint using CDK?

Yes. An example is actually given in my book...

Two options:

1. implement the IFingerprinter interface
2. use a list of predefined substructures...

Which of the two would be more appropriate for you situation?

Egon


-- 
Dr E.L. Willighagen
Postdoctoral Researcher
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers

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