Comparing JUnit test results between CDK trunk/ and a branch

I have started using branches for non-trivial patches, like removing the HückelAromaticityDetector, in favor of the new CDKHückelAromaticityDetector . I am doing this in my personal remove-non-cdkatomtype-code branch, where I can quietly work on the patch until I am happy about it. I make sure to keep it synchronized with trunk with regular svn merge commands. 1 minute read

Evidence of Aromaticity

I have been working on a new atom type perception engine for the CDK, after having decided that the existing atom type lists where not sufficient for the algorithms we have in the CDK. The new list is growing in size, and basically contains four properties (besides element and formal charge): 4 minute read

Glueing BioMoby services together with JavaScript in Bioclipse

Ola has been doing a good job of integrating BioMoby support into Bioclipse. Earlier he completed a GUI for running BioMOBY services, and added more recently a JavaScript wrapper too, using the Rhino plugin developed by Johannes. less than 1 minute read

BioSpider: another molecule search engine

I just ran into BioSpider. Unlike ChemSpider, BioSpider crawls the internet (well, this list of sources really) to find information, and depending on what it finds it continues the search. Below is a screenshot of an intermediate point after starting with the InChI of methane: less than 1 minute read

My FOAF network #1: the FOAFExplorer

In this series I will introduce the technologies behind my FOAF network. FOAF means Friend-of-a-Friend and 1 minute read

One Billion Biochemical RDF Triples!

That must be a record! Eric Jain wrote on public-semweb-lifesci: less than 1 minute read

My blog turned 2

A bit over two years I posted my first blog item, Chem-bla-ics , introducing the topic of my blog. In January this year I explained why I like blogging . less than 1 minute read