Friday, August 17, 2012

#ACSPhilly: Semantic pipelines to molecular properties

It is a great pleasure (and honor) to be able to speak at the upcoming Herman Skolnik Award Symposium (where Peter Murray-Rust and Henry Rzepa will be awarded). Unfortunately, I will not be present in person and will give my presentation remotely. I will put up the slides here, as normal, and hope that Google+ Hangout will work next Tuesday :)

Here's the abstract of my talk:
    In our quest to replace answers in molecular sciences by recipes to get answers, the semantic web technologies play the important role of giving meaning to numbers and characters. The Resource Description Framework (RDF) complements (and not replaces) earlier work with eXtensible Markup Language (XML) applications by providing a more clear separation between syntax and meaning. This creates an environment where multiple serialization formats can be used, that grows and shrinks in complexity where needed, and, for example, that can be easily embedded in document formats like HTML. We here present recent work in the dissemination and prediction of molecular properties, where data is shared in RDF, read into statistical and life science software including Bioclipse and R, and where molecular properties are predicted.
These publications serve as background material, and I know you will have read them, because you have all access and no excuse not to read them (also check this special issue around the ACS RDF 2010 meeting):

Samwald, M.; Jentzsch, A.; Bouton, C.; Kallesoe, C.; Willighagen, E.; Hajagos, J.; Marshall, M.; Prud'hommeaux, E.; Hassanzadeh, O.; Pichler, E.; Stephens, S. Journal of Cheminformatics 2011, 3,19. [Open Access]
Willighagen, E. L.; Jeliazkova, N.; Hardy, B.; Grafstr√∂m, R. C. BMC Research Notes 2011, 4. [Open Access]
Hastings, J.; Chepelev, L.; Willighagen, E.; Adams, N.; Steinbeck, C.; Dumontier, M. PLoS ONE 2011, 6, e25513+. [Open Access]

I'll try to make the presentation good fun: controversial, challenging, etc. But first I need to figure out what that Chinese room is about.