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we45dfa35gh3476
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Top candidates/predictions

I have two suggestions, which I would LOVE to see (but don't know how realistic they are):

1. post the top 100 FAAH candidates found (sorted by lowest docking energies); updated stats daily. D2OL does this here and I find it very interesting (they show who found which WU, what its final docking energy was, the name of the candidate, and a picture of the molecule - very cool!)

2. Once we get HPF2 rolling again, post the best prediction made for a particular protein (similar to Dr. Baker's Rosetta@Home site - shows which user/team made the best prediction of the day, and in some cases shows results for the best predicted structure - although they haven't updated that page since May 2006).

I think it would be awesome to see the results of our computations (I certainly do appreciate the updates from the scientists, but this would make the results more personal), but maybe that is a pipe dream confused
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[Edit 4 times, last edit by we45dfa35gh3476 at Aug 23, 2006 2:53:50 PM]
[Aug 23, 2006 2:47:25 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
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Re: Top candidates/predictions

One reason not to do this is that some people may reject work units that look like they are going to perform poorly. Even negative results are important to the project, and aborting work units just slows us down.

It would be interesting to see some more preliminary results, but posting daily statistics will leech valuable time from the already busy project scientists.
[Aug 23, 2006 3:56:50 PM]   Link   Report threatening or abusive post: please login first  Go to top 
we45dfa35gh3476
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Re: Top candidates/predictions

One reason not to do this is that some people may reject work units that look like they are going to perform poorly. Even negative results are important to the project, and aborting work units just slows us down.


I agree that we need the negative results for sure. I would think (with FAAH at least) that if a user really wanted to dump a WU that looked like it was going to perform poorly (I don't understand why anyone would want to - I think I've seen questions about it in the forums though), they would attempt to judge that (wrongly so) from the Best Docking Energy curve.

It would be interesting to see some more preliminary results, but posting daily statistics will leech valuable time from the already busy project scientists.


Yes this is true. My proposition is a bit selfish, and the scientists & techs should focus on the important issues biggrin
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Viktors
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Re: Top candidates/predictions

All of the results computed, low scoring and high scoring, are equally important to the researchers. If people started aborting work units becuase they didn't think their particular work unit was producing useful results, it would put the enire project at risk. The researchers need the negative results as well so they better understand the patterns that yield "good" and "bad" results. Furthermore, additional postprocessing is usually required anyway before the know if they have a "good" or "bad" candidate. In time, they will post something about what candidates they have found. Patience please.

The rosetta at home project is working on improving the Rosetta program itself, so they know what the output ought to be if it is working correctly. This makes it easier to declare that a computation produced the closest answer to reality. On our project however, we are usually computing things in unknown territory, so such declarations are not so clear cut.
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David Autumns
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Re: Top candidates/predictions

I like the original idea behind this post

As a growing group of contributers it would be nice to have some kind of top level info on how we are doing. For instance how many of our FAAH potential molecules have made the grade and would be considered for futher testing.

I think that was the thrust of the idea.

over at Grid.org we used to get info like this http://www.chem.ox.ac.uk/cancer/hitresults.html it was the lack of new info after 2002 that caused great concern amongst the grid.org crunchers as to the validity of the work being carried out there. I'm not saying that the WCG is the same as we have great feedback from the scientists in each of the project forums so we know our work in not in vain.

but....

At the moment we don't know how useful we might have been. It would be some consolation along the way in our relentless quest and would boost moral and aid recruitment

Dave
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[Aug 24, 2006 7:50:41 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
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Re: Top candidates/predictions

Just bumping an old suggestion I had a while back under another screenname.
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[Edit 2 times, last edit by Former Member at Jul 24, 2007 12:52:41 AM]
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Former Member
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Re: Top candidates/predictions

The best thing to do is to post your request to the reseachers on both the FAAH and HPF2 Forums and see what they say.
[Jul 24, 2007 1:25:16 PM]   Link   Report threatening or abusive post: please login first  Go to top 
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