Visualizing data embedded in XHTML+RDFa

Orion picked up my challenge and made an web based application to graph data from one of my XHTML-RDFa pages. Well done! He wrote his work up in his blog of which the results looks like:

less than 1 minute read

Quo vadis, CDK?

Tomorrow it is 10 years ago that the CDK was founded. The project has considerably grown and has a high impact on science. The CDK code base did not start 10 years ago, but was founded on the code bases of CompChem, JChemPaint, and Jmol, but has seen several reincarnations since the start.

4 minute read

Using PubChem to create CDK unit tests

In 2008 I posted about Wicked chemistry and unit testing and was using BeanShell at the time to convert a structure on PubChem into CDK source code. But since I rather use Groovy now, I have updated the code. I used CDK 1.3.6 and the PubChem XML format now:

less than 1 minute read

Presentation at AstraZeneca

Today and tomorrow I am guest at AstraZeneca in Mölndal. This is the presentation I gave today about the work on Bioclipse-RDF:

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Noel's chemical ASCII art

Very short post, but this is brilliant! Not sure if Noel posted this in reply to this Blue Obelisk eXchange question, but certainly answers it:

less than 1 minute read

The CDK 2003 paper is now cited 99 times

 

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A list of things I miss in CiteULike

AJCann posted a blog today about what he doesn’t like about Mendeley. Abhishek replied that he does not like people complain about one tool, instead of pointing out a good alternative. Mendeley has two alternatives, Zotero and CiteULike (there is also Connotea, but got behind in evolution).

2 minute read