Linking up open science online
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. Egon was able to grab the InChiKeys from the relevant UsefulChem pages and passing those to CDK via a script that he wrote on the spot (which he has also just blogged) 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 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.