
posted to
Useful Chemistry on
Mon 8th Feb 10I've been invited to participate in a panel discussion on "New tools in research, teaching, and publishing" on May 24, 2010 at the annual PI meeting for the Integrative Graduate Education and Research Traineeship (IGERT) program at NSF. After speaking with...

posted to
Mining Drug Space on
Mon 8th Feb 10I strongly believe in Knowledge = People + InformationThus one critical key aspect is allowing me and my friends (people) finding each other and browsing the information from each other easily. One of the most person-centric ways of defining people-networks...

posted to
Depth-First on
Mon 8th Feb 10PubChem's massive size presents special challenges when working with this chemical dataset. Synchronization in particular requires special care. Although it's very easy to use a tool such as wget to perform a complete, one-time download PubChem's archive files,...
In my previous post I had mentioned that key/value or non-relational data stores could be useful in certain cheminformatics applications. I had started playing around with MongoDB and following Rich’s example, I thought I’d put it through its paces...

posted to
Chem-bla-ics on
Sun 7th Feb 10Quite a while a go, I blogged about Zest in Bioclipse showing a bit of ONS Solubility data. I could not follow up on that until now, as I had yet to do a lot of RDF work in Bioclipse, so the screenshot back then was kind of a mockup. Things are different now,...