chem-bla-ics
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  • Mar 18, 2009

    NMRShiftDB enters rdf.openmolecules.net

    This morning I finished setting up a RDF interface to the NMRShiftDB data (see nmr:234):

    less than 1 minute read
  • Mar 14, 2009

    Autogenerating CML bindings for XMPP services with XMLBeans

    I blogged earlier about our efforts to create a better SOAP service architecture, based on XMPP:

    3 minute read
  • Mar 12, 2009

    Bioclipse: a powerful Jmol application

    While Bioclipse is much more, it could be an interesting alternative to the Jmol application. It offers:

    less than 1 minute read
  • Mar 4, 2009

    Open NMR data: raw curves and annotated peak lists

    Games are known to trigger technical innovation. But recently it also triggered innovation on open chemical databases. Jean-Claude reported:

    1 minute read
  • Mar 3, 2009

    Open Data versus Capatalism?

    Ian Davis was recently quoted saying open data is more important than open source, which was pulled (out of context) from this presentation. The context was (a slide earlier): Data outlasts code.

    2 minute read
  • Mar 1, 2009

    Solubility Data in Bioclipse #4: Finding ChEBI IDs (Again, but better)

    Those who carefully analyzed the second SPARQL query in Solubility Data in Bioclipse #3: Finding ChEBI IDs will have noticed the use of owl:sameAs. Those who did not, here’s the query again:

    1 minute read
  • Feb 27, 2009

    Solubility Data in Bioclipse #3: Finding ChEBI IDs

    With the RDF functionality set up in Bioclipse (see Solubility Data in Bioclipse #2: handling RDF), we can start mining the Chemical RDF space. Check out this mashup:

    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.