I think there recently was a discussion on reaction balancing... did not have time to tune in on that yet... perhaps someone can reply to the Blue Obelisk mailing list?
E. ---------- Forwarded message ---------- From: Peter Murray-Rust <pm...@cam.ac.uk> Date: Sun, Aug 8, 2010 at 2:07 PM Subject: [BlueObelisk-discuss] The Green Chain Reaction; can the Blue Obelisk help? To: BlueObelisk-Discuss <blueobelisk-disc...@lists.sourceforge.net> As you can see from http://wwmm.ch.cam.ac.uk/blogs/murrayrust/?p=2526 we are starting an ambitious communal event in datadriven science. It will be presented live at the British Library for Science Online 2010 (nature, Mendely, BL sponsors) with a very high profile (e.g. getting widely reported, involving a world community) Jean-Claude and MatTodd will be taking part. I would love help from more BlueObelisk readers and anyone else who might be interested. The question we want to answer is “Are chemical reactions becoming greener?” by using text-mining and other information extraction from the Open Chemical literature. The Blue Obelisk and the chemical blogosphere can help. Examples of help are: * blog the event * project page/wiki * list of solvents (do we have this?) * list of reagents * software to balance reactions from products and reactants and reagents. How much of this does CDK do? * software to deduce reaction type from products and reactants and reagents. How much of this does CDK do? * sources or Open reactions. The most likely are personal papers, theses, etc. data mining behind publishers' firewalls is forbidden * requests to publishers to make their experiemental sections fully Open. and of course your ideas on what else we can do... Rich, do you have Open reactions? Can we scrape reactions from Wikipedia? Can we get solvents , reagents from Wikipedia? .. etc. P. -- Peter Murray-Rust Reader in Molecular Informatics Unilever Centre, Dep. Of Chemistry University of Cambridge CB2 1EW, UK +44-1223-763069 ------------------------------------------------------------------------------ This SF.net email is sponsored by Make an app they can't live without Enter the BlackBerry Developer Challenge http://p.sf.net/sfu/RIM-dev2dev _______________________________________________ Blueobelisk-discuss mailing list blueobelisk-disc...@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss -- Post-doc @ Uppsala University Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg Homepage: http://egonw.github.com/ Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ This SF.net email is sponsored by Make an app they can't live without Enter the BlackBerry Developer Challenge http://p.sf.net/sfu/RIM-dev2dev _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
