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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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OpenlabChemical Sciences
Published

Pedro reminded me of the last call for Open Laboratory 2007, which prints the best blog items of 2007 in book form. The list of chemistry contributions is not so large yet, so go ahead and nominate some of cool chemical blog items of the last year. I will post my shortlist later this week.

CdkJunitChemical Sciences
Published

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.

BioclipseJavascriptChemical Sciences
Published

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. For example: console = Packages.net.bioclipse.util.BioclipseConsole; moby = Packages.net.bioclipse.biomoby.ui.scripts.MobyServiceScripting; biojava = Packages.net.bioclipse.biojava.scripts.BioJavaScripting;

Chemical Sciences
Published

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: After the search it generates a long HTML page with all the information it found on the molecule you queried for.

SemwebChemical Sciences
Published

In this series I will introduce the technologies behind my FOAF network. FOAF means Friend-of-a-Friend and My FOAF file (draft) will give you details on who I am, who I collaborate with (and other types of friends), which conferences I am attending, what I published etc. That is, I’ll try to keep it updated. BTW, FOAF is a RDF language.