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An R-based genetic algorithm
During my PhD I wrote a simple but effective genetic algorithm package for R. Because there was a bug recently found, and there is interest in extending the functionality, I have set up a SourceForge project called genalg.
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Tagging Molecules: a mashup of Connotea and RDF
Using the InChI and the new rdf.openmolecules.net website, it is now possible to tag molecules. And if you use Connotea for that, your tags will even show up on the rdf.openmolecules.net website. For example, at the time of writing, methane was tagged with alkanes and gas.
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ACS RSS feeds are messed up
All start is difficult. The ACS must know that, but they still blame Google. In this blog, Everyday Scientist mentions that the ACS RSS journal TOC feeds are sometimes messed up. I noted that too, but lived with it. The ACS generally is a very professional organization, but when I read they told ES that his Google RSS client was the problem, I just had to confirm his problems, hoping that some ACS representative can relay the message to their IT department.
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Why plain QSAR is not enough for me...
Amanda had a very nice post on Small molecules that modulate quorum sensing. It’s the perfect read for a Sunday morning, when you have a view looking down on Strasbourg from a hill in the Black Forrest. Biology fascinates me, particularly when small molecules are involved. And the molecular signaling used by these bacteria is just delightful. Make sure to read up on the small squids in 96-well plates too! (And we are worried about varkensflats! That’s put in perspective :) These very small squids have a symbiosis with bacteria that light up under certain conditions, and this squid species learned how to control that lightning. Nerdy facts like this adds that coolness factor that outliers in QSAR lack.
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Outscoring old science
Rich posted a nice quote the other day on the introduction of the forward pass in football some 100 years ago, and linked that to sciences. I commented with the remark that the outscoring is the problem:
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New InChI software beta: license issues resolved and InChIKey
The IUPAC/NIST team made a beta release of the next InChI software release:
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Double-charging your readers: quite unacceptable indeed
Peter has been doing an excellent job in advocating ODOSOS , and one of his posts even hit Slashdot.
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