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chem-bla-ics

chem-bla-ics
Chemblaics (pronounced chem-bla-ics) is the science that uses open science and computers to solve problems in chemistry, biochemistry and related fields.
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FoafChemical Sciences
Published

As promised , I’ll write a bit about using Bibliographic Ontology Specification (BIBO) over as bibliontology.com. I have written a basic XSLT to create a HTML GUI (open the RDF source in e.g. Firefox). Really basic: it only converts articles, and even assumes some conventions I found in examples in the BIBO wiki. I have not spotted a BIBO validator yet, so guessing a bit.

CasCheminfChemical Sciences
Published

IUPAC chemical names, SMILES and InChIs are too long. InChIKeys are not unique enough because of safety reasons (you have a 1 in 10 billion chance of blowing up your building; well, odds are actually much, much lower than getting hit by Osama or friends, let alone a car). Wikipedia URIs do not cover enough chemical space.

BioclipseMetwareOntologySemwebOwlChemical Sciences
Published

The MetWare project is going to make use of ontology technologies to control the content of the database, and a first step is to convert our MetWare database design into something using a formal ontology language. I have played with OWL in the past (see for example its use in Bioclipse ), but was not overly happy with it in all situations.

CdkDebianChemical Sciences
Published

Some days have passed , and the Debian mirrors have now picked up the CDK package (unstable only so far), allowing you to sudo aptitude install libcdk-java from your favorite local mirror. The details are available from this packages.debian.org/libcdk-java page. The fact that it is listed as contrib is a small mistake; the package is really main material.

CdkDebianChemical Sciences
Published

Michael Koch (aka man-di) and Daniel Leidert (as part of the pkg-java team) have worked on packaging the CDK. The ran into some issues, such as the CDK build system not perfectly compatible with the Debian java libraries in /usr/share/java. Both detection of the available libraries as well as putting them in the classpath, caused trouble with the CDBS-based build system wrapping around the Ant build.xml (note the many commit this weekend ;).