Skyline of #Boston walking to the convention center at 6:45am #acs_boston

 

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#ACS_Boston #acsrdf2010 ? It's all about Open Standards!

Less than a week left before the three ACS RDF 2010 sessions! I am both nervous and excited! We really got a great team of speakers together. As a final call for people still not sure if they want to attend, I sent out a few emails. On Monday, we are competing with the big JCIM 50th anniversary, but really, that it’s 50 years of old cheminformatics, where our session is about the next 50 year. Your call ;) I was told the meetings are in two rooms along side, so you should be able to see a bit of both.

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Specifying unit test dependencies with JExample

A while ago I asked on StackOverflow about options to specify unit test dependencies. An example from the CDK would be that aromaticity detection in some molecule would require that all atom types are correctly perceived. I could test both in separate unit tests, but with JUnit I cannot have the aromaticity test ignored of the atom typing already failed. Now, being to specify such dependencies is useful, as the failing aromaticity test may be caused by the faulty atom typing, but the failing aromaticity test seems to imply something is wrong with the aromaticity detection algorithm.

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The Molecular Chemometrics Principles #3: stand on shoulders

I have blogged about two Molecular Chemometrics principles so far:

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The Molecular Chemometrics Principles #2: be clear in what you mean

I noted earlier this week that [d]uring the week [in Oxford ], someone (name and address is know at the editorial office) commented on the fact that my blog posts are somewhat difficult to follow; that is, it’s often not clear why I am posting what I am posting. This triggered the start of a series of principles in the field I coined Molecular Chemometrics, and the promise that I will try to indicate in each blog post to which of these principles it relates. Just to put things in a bit more perspective; to make a bit more clear why I am blogging about that bit; just to be clear in what I mean.

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XHTML+RDFa: chemical examples

Steffen asked me if I could also provide a few examples on how to actually put RDF triples in the HTML, as the template I gave yesterday is a mere empty canvas to draw the triples on. There are actually various examples in my blog, which I will summarize here.

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XHTML+RDFa Template

There was some more discussion on machine readability of notebooks again, something I have blogged about for a long time now.

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