chem-bla-ics
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  • May 21, 2009

    Bioclipse beta5: really the last one now

    Bioclipse beta 5 was just released by Ola, and the team had some bad days over an problem that happened after a merge of an important branch regarding the managers we are using to allow scripting of Bioclipse.

    1 minute read
  • May 18, 2009

    Open Data: license, rights, aggregation, clean interfaces?

    A recent post by Cameron on his visit last week with Nico, Peter and Jim, discussed Open Data licensing. This lead to an interesting discussion on these matters, and questions by me on why people care so much about only public domain data (or licensed with PDDL or CC0).

    5 minute read
  • May 15, 2009

    ChemSpider and the RSC: where next?

    Last Monday the CHMINF-L brought the news to me that ChemSpider was acquired by the RSC (not the press release). Twitter (my Twitter post) and FriendFeed (see this series).

    2 minute read
  • May 11, 2009

    Which feature must I install for org.eclipse.zest?

    Dear lazyweb!

    less than 1 minute read
  • May 11, 2009

    PubChem-CDK

    PubChem-CDK is a project that runs CDK code on the PubChem data. As we speak, a groovy script reads about 100 PubChem Compounds XML entries per second into the database. Mind you, not the SDF they distribute which uses a custom extension to overcome the limits of the real MDL SDF format.

    1 minute read
  • May 8, 2009

    Nomination of the CDK for a SF Community Award

    Just hit the below icon, and use 140 characters why you think the CDK should be nominated. Please select the Best Project for Academia, and we might make a chance:

    less than 1 minute read
  • May 7, 2009

    /me is having Bioclipse/XMPP/RDF fun

    Johannes asked me what the Lipinski Rule of Five for farnesol is, in reply to the matching XMPP cloud service. Thanx to DBPedia for providing a machine readable form of the wikipedia entry:

    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.