Hi all, I think we have been challenged by the Unilever Cambridge Center for Molecular Informatics, Dr Jonathan Goodman, Prof Robert Glen and Dr Antonio Llinàs [0].
The challenge not just us, but any data modeler, by asking us to predict the solubility of 32 compounds, based on a computational model we can train against 100 knowns. Now, in my experience 100 is a bit on the low side, but at least higher than the bare limit to get low enough statistics to distinguish prediction models. Or, in other words, we barely can make a choice of a best model. But just enough to pick up the challenge I assume. Now, any one can make a reasonable model... the real challenge to me is to make a reproducable model, a model that anyone in the world can build themselves. So, with Blue Obelisk components (or other opensource tools). I'd like to invite and suggest that the Blue Obelisk community will jointly, in an Open Science approach, pick up this challenge, and show the power of ODOSOS, Open Source, Open Data (provided by the JCIM paper), and Open Standards (so, that every community member can focus in a particular bit of the whole process!) to the remaining closed source chemoinformaticians (and cheminformaticians too :). Wendy Warr mentions on [chemweb] a five letter contestant code, and ODOSOS does not fit, so how about BLUEO ? I have set up a wiki page, SVN will follow (down for maintainance): http://blueobelisk.sourceforge.net/wiki/BLUEO Any contribution counts, and the wiki page has some suggestions how you may contribute. It does not have to be in the Open Source side... there is plenty to do on the Open Data and Open Standards side too. It's a community approach, and the only contribution restriction is that it has to be ODOSOS. Let's get started! More details and the data can be found at [1]. Egon 0.http://dx.doi.org/10.1021/ci800058v 1.http://www-jmg.ch.cam.ac.uk/data/solubility/ -- ---- http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Blueobelisk-discuss mailing list Blueobelisk-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
