chem-bla-ics
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  • May 2, 2008

    Comparing JUnit test results between CDK trunk/ and a branch #2

    I reported earlier on how to compare unit test results between CDK trunk and a branch. Later, I noted that the diff typically overestimates the fail count, when unit tests had been moved to a different module. Therefore, a sort has to be added. The code is also updated for the SVN directory restructuring:

    1 minute read
  • Apr 28, 2008

    JChemPaint for Bioclipse2

    Today Ola, Jonathan and I have a mini-hack session on getting JChemPaint support ported from Bioclipse1 to Bioclipse2. And, we made some progress:

    less than 1 minute read
  • Apr 28, 2008

    Blog Comments? No, Peer Reviews!

    Via Carbon-Based Curiosities’s blogroll I found a number of new blogs (on top of the list I posted yesterday), and just added them to Chemical blogspace. This is something I found in Infiniflux!:

    less than 1 minute read
  • Apr 27, 2008

    Comments on 'Rethinking software access'

    bbgm was rethinking software access. The blog observes:

    3 minute read
  • Apr 24, 2008

    More CDK-Ruby users...

    Via Rich’ blog, I was informed about the work by goesLightly on CampDepict, a Ruby-based application which uses the CDK for SMILES parsing and 2D diagram generation. With cdk-20060714.jar it’s using pretty ancient code, and I have not seen a screenshot.

    less than 1 minute read
  • Apr 22, 2008

    Quality Publishing: EndNote versus InChIs

    Some publishers hesitate a bit, but others go full speed ahead into the electronic publishing era. Noel commented on my post about OA/OD inviting added value:

    2 minute read
  • Apr 21, 2008

    Open Access / Open Data leads to added value

    Two companies recently showed two things:

    less than 1 minute read
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  • Egon Willighagen
  • 0000-0001-7542-0286

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