Egon Willighagen wrote:
> On Wed, Feb 24, 2010 at 4:08 PM, Mark Rijnbeek <ma...@ebi.ac.uk> wrote:
>
>> 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.
>>
>
> Sounds like an excellent CDK News paper...
>
>
>> 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?
>>
>
> No, that would not be possible... but it could go into ChemoJava,
> which is a holder for GPL code using the CDK library as underlying
> technology...
>
>
>> I'd volunteer myself to try and do this, if in principle we are allowed to.
>> Any thoughts anyone?
>>
>
>
You could use ambit smart parser at ambit.sourceforge.net , online demo
with quite large database is available at
http://apps.ideaconsult.net:8180/ambit2/query/smarts?type=smiles&search=c1ccccc1&text=&max=100
Regards,
Nina
> Egon
>
>
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