Hi,
It'd be interesting to see the examples (pattern and molecule). In my
database search toolkit (Orchem) I also implemented SMARTS searching,
but the CDK's performance was not good. I haven't looked into this
further. But here's an idea. As JoeLib is licensed under the GNU General
Public License, would it be an option to incorporate the JoeLib
implementation into the CDK?
I'd volunteer myself to try and do this, if in principle we are allowed
to. Any thoughts anyone?
Mark
Hi,
I am facing problem ith cdk SmartMatcher class.it <http://class.it>
takes 10 times more to match perticular smart pattern to
molecule.While in Joelib the same task completed in few second.
As cdk is more advance in all aspects ,I need to switch from Joelib to
cdk.because of this problem,I need to use joelib for that one
perticuler SmartsMatcher class.
Thanks and Regards
Sapana Mehendale
Software Developer (Java)
InSilico Division
Systems Biology India Pvt. Ltd.
201, Gamma 1, Gigaspace,
Viman Nagar, Pune 411014, India
Tel: +91-20-30511321
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Try the new software tools for yourself. Speed compiling, find bugs
proactively, and fine-tune applications for parallel performance.
See why Intel Parallel Studio got high marks during beta.
http://p.sf.net/sfu/intel-sw-dev
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