Predict search time

I would like to give my users some estimation time how long the sub structure search will take. Is there way in jchem for doing this?

Thanks

Gabor

Hi Gabor,

The search time is depending on lots of things. (The query, the query features, the size of the database, the type of molecules in the database, number of hits, etc.)

I recommend you some documents which might help you in the prediction:
JChem Benchmarks: http://www.chemaxon.com/jchem/FAQ.html#benchmark />JChem presentation: http://www.chemaxon.com/conf/Advanced_structural_searching_using_ChemAxon_tools.pdf />JChem performance tunning sticky topic: https://www.chemaxon.com/forum/ftopic1357.html

Edvard

Hi,

What I want to do is to give an online feedback after the user started the search. E.i when you copy a file you can see how many seconds elapsed and how many seconds needed (an estimate) to complate it. I know it is difficult, but I would like to know if you have any tool (idea) to achieve it.

Thanks

Gabor

Gabor,

JchemSearch contains a method: setInfoToStdErr(boolean). http://www.chemaxon.com/jchem/doc/api/chemaxon/jchem/db/JChemSearch.html#isInfoToStdError%28%29 />
It can provide some information about the search e.g.:

Tue Feb 02 09:51:50 CET 2010
Search mode: SUBSTRUCTURE
Structure table: editexample
Query: OC1=CC=CC=N1
Screened: 3
Hits: 3
Total time: 363 ms  Screening: 42 ms
Processing threads: 2
Current / peak / maximum searches per minute: 1 / 1 / Unlimited

Edvard

Gábor,

You can also use the NO_ABAS search option, which will give you the number of structures that have to undergo the time consuming atom-by-atom search (the most significant time factor of substructure search). In translating this estimate into a time estimate, you are pretty much on your own, since time is very much dependent on the specific environment and, on servers, the often very ephemeral factor of overall system workload.

Regards,

Peter

 

Thanks

Gabor

Gabor,

Also, you can run in Asynchronous mode and retrieve progress messages and the number of hits found so far.

http://www.chemaxon.com/jchem/doc/guide/search/#sss_thread

 

Jon