On 9 September 2011 17:55, Joos Kiener <j...@sunrise.ch> wrote:
> Hi Nina,
>
> ok but you can do the pre-screen in library too and thats exactly what i
> did. Mor eon this shortly in a new thread.
>
Yes, but how do you ensure that the prescreening you do is the same the
commercial system does :)
Nina
>
> Best Regards,
>
> Joos
>
> Am 09.09.2011 16:11, schrieb Nina Jeliazkova:
>
>
> I'm not sure how you differentiate library vs database search? To
>> explain myself: graph matching is not done natively in a relational
>> database so you need somekind of library/add-in/carrtridge anyway?
>> Where is the advanatge of a database in the graph matching step?
>>
>
>
> One thing is pre-screening, which can be on the DB level as well (even
> without cartridges), without loading structures at all for example. The
> graph matching procedure from a db system may not even be called for all
> structures, when running particular search, so one may not be testing the
> same thing.
>
> Nina
>
>
>> Best Regards,
>>
>> Joos
>>
>> Am 09.09.2011 02:37, schrieb Syed Asad Rahman:
>> > Hi Joos, I concur with Nina's view on library vs database search.
>> >
>> > Just wondering if you had used the right code...
>> >
>> >
>> https://github.com/asad/SMSD/tree/master/src/org/openscience/smsd/algorithm/vflib/substructure
>> >
>> > Kind test it with the above code.
>> >
>> > or use
>> >
>> https://github.com/asad/SMSD/blob/master/src/org/openscience/smsd/Substructure.java
>> >
>> > Asad
>> >
>>
>>
>>
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Osterman Research conducted this study that outlines how and why cloud
computing security and archiving is rapidly being adopted across the IT
space for its ease of implementation, lower cost, and increased
reliability. Learn more. http://www.accelacomm.com/jaw/sfnl/114/51425301/
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