Cameron Neylon

I am currently sitting at the dining table of Peter Murray-Rust with
Egon Willighagen opposite me talking to Jean-Claude Bradley. We pulling
together sets of data from Jean-Claude's UsefulChem project into CML to
make it more semantically rich and do a bunch of cool stuff. Jean-Claude
has a recently published [preprint on Nature
Precedings](http://precedings.nature.com/documents/2237/version/1) of a
paper that has been submitted to [JoVE](http://www.jove.com). Egon was
able to grab the InChiKeys from the relevant
[UsefulChem](http://usefulchem.wikispaces.com) pages and passing those
to CDK via a script that he wrote on the spot (which he has also [just
blogged](http://chem-bla-ics.blogspot.com/2008/08/creating-cmlreact-from-usefulchem-ugi.html))
generated CML react for those molecules.

Peter at the same time has cut and pasted an existing example of a CML
react XML document into a
[GoogleDoc](http://docs.google.com/View?docID=dq5m5bs_12hb8d2wcw&revision=_latest)
which we will then modify to represent one example of the Ugi reactions
that Jean-Claude reported in the precedings paper. You will be able to
see all of these documents. The only way we would be able to do this is
with four laptops all online -- and for all the relevant documents and
services to be available from where we are sitting. I've never been
involved in a hackfest like this before but actually the ability to
handle different aspects of the same document via GoogleDocs is a very
powerful way of handling multiple processes at the same time.


I am currently sitting at the dining table of Peter Murray-Rust with Egon Willighagen opposite me talking to Jean-Claude Bradley. We pulling together sets of data from Jean-Claude’s UsefulChem project into CML to make it more semantically rich and do a bunch of cool stuff. Jean-Claude has a recently published preprint on Nature Precedings of a paper that has been submitted to JoVE.

Postagens de Rogue Scholar

Linking up open science online