Earlier today, Egon announced the release of an RDF version of ChEMBL, hosted at Uppsala. A nice feature of this setup is that one can play around with the data via SPARQL queries as well as explore the classes and properties that the Uppsala folks have implemented. Having fiddled with SPARQL on and off, it […]
Molecules & MongoDB – Numbers and Thoughts
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 using data from PubChem. Installing MongoDB was pretty trivial. I downloaded the 64 bit version for […]
Cheminformatics and Non-Relational Datastores
Over the past year or so I’ve been seeing a variety of non-relational data stores coming up. They also go by terms such as document databases or key/value stores (or even NoSQL databases). These systems are alternatives to traditional RDBMS’s in that they do not require explicit schema defined a priori. While they do not […]
WPTouch – Painlessly Optimize Blogs for Mobile Devices
I came across WPTouch, a WordPress plugin/theme that optimizes a blogs appearance for fast loading on mobile devices such as the iPhone, Android and so on. It’s really trivial to install (just like any other plugin) and once done, browsing this site on my iPhone is really much nicer than viewing the full fledged desktop […]
A GPL3 Oracle Cheminformatics Cartridge
Sometime back I had mentioned a new cheminformatics toolkit, Indigo. Recently, Dmitry from SciTouch let me know that they had also developed Bingo, an Oracle cartridge based on Indigo, to perform cheminformatics operations in the database. This expands the current ecosystem of Open Source database cartridges (PGChem, MyChem, OrChem) which pretty much covers all the […]