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Call for Papers: Thematic Series about RDF in Chemistry
As a follow up of the ACS RDF 2010 Symposium we just had in Boston, I can announce that we are preparing a thematic series in the Journal of Cheminformatics around this theme, and that at least six speakers will present their work in this series.
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CDK 1.3.6: the changes, authors, and reviewers
The list of changes is particularly long for this development release. Therefore, I will list the authors and reviewers first. Note that this release also includes the changes of the 1.2.6 and CDK 1.2.7 release.
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CDK 1.2.7: the changes, the authors, and the reviewers
CDK 1.2.7 is the latest of bug fix releases in the 1.2 series. It brings a number of JavaDoc fixes, but, importantly, also bug fixes in SMILES handling and atom type perception. I am really pleased to see the application domain of various algorithms in the CDK continously grow: SMILES parsing for some transition metals has been fixed, and the SMILES generation for some types of ring closures too. Additionally, an important bug was fixed in the atom type perception algorithm, which failed for custom atom types with formal charges. Everyone using the CDK 1.2 series is advised to upgrade to this version.
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Pulling out data as JSON from XHTML+RDFa
I am keen on RDFa and RDF in general; that should not be a surprise. RDFa is a serialization of RDF triples embedded in (X)HTML. I recently posted about chemical examples of XHTML+RDFa. Now, the reason for putting data in HTML as RDFa is that we can easily pull it out again, e.g. with this distiller. But the fun goes on, and we can actually also run SPARQL directly on it, for example with RDFaDev which I recently blogged about.
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Handbook of Chemoinformatics Algorithms
As I was originally waiting for an actual copy inbox, which I still have not received, I had not blogged about it, but earlier this year the book “Handbook of Chemoinformatics Algorithms” by Jean-Loup Faulon and Andreas Bender got released for which I wrote a chapter on 3D molecular representation. Just wanted you to know.
