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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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DrugdiscoveryBlogKimya Bilimleriİngilizce
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Two things I like blogging: 1. the turn-over of information; 2. the informal nature. There are more . The turn-over is optimized by commonly: 1. short blog items; 2. easily allows scanning tons of headlines; 3. often full of links if you want to know the details.

FoafKimya Bilimleriİngilizce
Yayınlandı

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.

CasCheminfKimya Bilimleriİngilizce
Yayınlandı

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.

BioclipseMetwareOntologySemwebOwlKimya Bilimleriİngilizce
Yayınlandı

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.

BioinfoKimya Bilimleriİngilizce
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/. just posted a story about the maize genome just published, for which the sequences can be downloaded from this FTP site. The files are not that large at all. But it makes me wonder… where are the .torrent files for the sequenced genomes? Here’s Davids catch on the story.

CdkDebianKimya Bilimleriİngilizce
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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.

CdkDebianKimya Bilimleriİngilizce
Yayınlandı

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 ;).