Category Archives: Uncategorized

The ICEman cometh

First to thank Peter Sefton and family for looking after me so well. We’re just about to see the sights of Toowoomba – The garden city. I gave a talk yesterday about the Semantic web and other stuff and used … Continue reading

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ICE: Learning materials and authoring tools and XML/CML

After several abortive attempts a correspondent asked on the CML Blog: “How do you put in XML?” I’m at one of the best places in the world to answer this (perhaps after a day more). I’ve travelled to the University … Continue reading

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Reporting conconsistent stereochemistry in CrystalEye.

There have been some general suggestions that the stereochemistry in CrystalEye structures may have errors. This is entirely possible as it’s quite difficult to check in unit tests without a large corpus of correctly annotated examples. We’d be grateful for … Continue reading

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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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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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