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

Posted in Uncategorized | 5 Comments

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

Posted in Uncategorized | Leave a comment

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

Posted in Uncategorized | 1 Comment

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.

Posted in Uncategorized | Leave a comment

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

Posted in Uncategorized | Leave a comment

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

Posted in Uncategorized | Leave a comment

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

Posted in chemistry, XML | Tagged , , , , | 2 Comments

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

Posted in Uncategorized | Leave a comment

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

Posted in chemistry, crystaleye | 6 Comments

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

Posted in Uncategorized | Leave a comment