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Yearly Archives: 2008
Travels
Have landed in Melbourne for a 3-4 week tour of several eastern places.By chance attended a Fedora meeting at the Monash Conference suite at Andrew Treloar’s invitation. Overwhelmed by the feeling of welcome. FWIW I visit Peter Sefton next week … Continue reading
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Open Access article in C&E news
Covergae of several aspects of Open Access and Open Data http://pubs.acs.org/cen/science/86/8605sci1.html
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Chemistry For Everyone – Nature Horizons
The review that Nature invited from me has appeared: http://www.nature.com/nature/journal/v451/n7179/pdf/451648a.pdf Only the first paragraph is toll-free, but the pre-review preprint has been saved in Nature Precedings. My only reservation is that journal style required that I could not include names … Continue reading
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Open data and robots in Computer Weekly
Richard Poynder has done me the honour of an interview for Computer Weekly, the leading UK magazine: http://www.computerweekly.com/Articles/2008/02/05/229273/peter-murray-rust-and-the-data-mining-robots.htm It is very useful to have these opportunities to summarise state of play at regular intervals.
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Early days of molecular modelling
Allen Richon is writing an article for Drug Discovery Today and a book on the early history of molecular modelling and I think this is really important to preserve. As I’m short of time Nico has helped by recording a … Continue reading
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XML is Ten!
I was honoured to be part of the development of XML (especially through the XML-DEV mailing list Ian Jacobs of the W3C asked for digital memorabilia to commemorate that and also to save some oral history (we have lost enormous … Continue reading
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Working with the NCI
I was intending to blog about our collaboration with Dan Zaharevitz and colleagues at the National Cancer Institute in the DTP (Developmental Therapeutics Program). Dan beat me to it: in a CMLBlog comment (February 4th, 2008 at 5:02 pm e) … Continue reading
CML Blog will restart
There has been a long hiatus on the CML blog but I am now convinced it is the best way to discuss the general topics on CML and to leave cml-discuss for more technical ones. I shall make cross references … Continue reading
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Automatic assignment of charges by JUMBO
Egon has spotted a bug in our code for assignment of charges to atoms: Why chemistry-rich RSS feeds matter… data minging, The example shown by Peter was nicely chosen: something is wrong with that example. It uncovers a bug in … Continue reading
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What if chemistry data had been open?
When people ask me for examples of why Open Data matters, I always refer them to the Openness of bioscience – or at least those parts close to the Central Dogma (DNA-> RNA->Protein->Structure->Function). All those parts are Open. You can … Continue reading
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