The slides for my recent presentation at the American Chemical Society meeting in San Diego (Spring 2012):
The slides cover a whirlwind tour through some of the apps produced by Molecular Materials Informatics, showing how they can be used together in a realistic chemical information workflow.
The latest alpha testing version of ODDT
(Open Drug Discovery Teams) has been enhanced to be considerably more graphical. The back-end server operates by regularly polling for predefined Twitter hashtags, and assimilating new content into its own stream. For several revisions, links that contain chemical data (structures, reactions, datasheets) have been recognised explicitly, and handled by the app, allowing the content to be previewed and used in conjunction with other apps. Now images are handled as well: tweets with links that go directly to images are recognised as such, and links that lead to HTML pages are downloaded and crawled, in search of references to embedded images.
The alpha stage prototype of the Open Drug Discovery Teams (ODDT) app proceeds. Since the last snapshot, a couple of extra buttons have been added to the main page, as can be seen by the graphic on the right (which also demonstrates that this is not just an iPad app, it is designed to work on iPhones/iPods as well). Continue reading
The Open Drug Discovery Teams project (ODDT) has passed enough early milestones to be considered ready for alpha testing. There are two main prerequisites for this: (1) the back-end server is now live on the open internet, and (2) the app has sufficient features and stability to be considered a minimum viable product.
To get a quick idea of how the Open Drug Discovery Teams (ODDT) project is coming along, check out this screencast. The ODDT app is at a fairly basic stage, but it is taking form nicely. Continue reading
The previous post mentioned a new project in the works, called ODDT (short for Open Drug Discovery Teams, or anachronistically “Oddity”).
This is a project that was not even an idea 3 weeks ago when Sean Ekins started writing out some notes during a conference. In the interim time we got together and drew out a roadmap, built an app, put together some server infrastructure, and pitched the app in front of the Pistoia Dragon’s Den.
The project is currently immature, raw, and very far from finished – but this post covers some of the basics of what it is, and what it will grow into. Continue reading
Cheminformatics 2.0 