Monthly Archives: September 2011

Journal of Cheminformatics special issue: Visions of a Semantic (Molecular) Future

Over the past approximately 3 months I and colleagues have been writing and editing 15 articles for the Journal of Cheminformatics on “Visions of a Semantic (Molecular) Future”. We’ve finally got to the stage where all 15 articles have been … Continue reading

Posted in Uncategorized | Leave a comment

Open API (or glorious API?)

It is becoming critical that we (?everyone) defines what is meant by “open API” and what it means operationally. This post introduces the problem – the next will suggest some ways forward. Why does this matter? Isn’t “open” an indication … Continue reading

Posted in Uncategorized | 3 Comments

Chemical Informatics and China; and challenges of language

I was honoured last week to be invited by Professor Xiaoxia Li to speak at the 14th Asian Chemistry Congress in Bangkok and then to visit her group in Beijing. Unfortunately I couldn’t spend longer but the visit impressed me … Continue reading

Posted in Uncategorized | Leave a comment

14 Asian Chemical Congress: Why we need Open Data/Source/Standards

I am talking tomorrow as an invited lecturer to the 14th Asian Chemical Congress in the Cheminformatics section ( My message is the Cheminformatics needs Open resources (as in ). I am not arguing that everything should be Open, … Continue reading

Posted in Uncategorized | 2 Comments

Open Crystallography: How to start it and where should we base it?

#opencryst At #iucr2011 Saulius Grazulis and I agreed to set up Open Crystallography. We’ve both been working in this area (he with the Crystallography Open Database community ( ) and our group with Crystaleye ( ), Chempound for crystals ( … Continue reading

Posted in Uncategorized | 1 Comment

#solo11; post Science Online thoughts

I’ve been to all the SOLO meetings (Aug/Sept) and really enjoyed them. The earlier ones concentrated on blogging and it was a great way to meet other bloggers. They have gradually moved towards adding other types of online activity, with … Continue reading

Posted in Uncategorized | 4 Comments

Reader Pays (a lot) to read “Sodium Hydride as Oxidant paper” (you don’t need to be a chemist)

YOU DON’T HAVE TO KNOW ANY CHEMISTRY – THE POINT IS DIFFERENT. But you should have 70 USD ready. I came across the following paper today: Reductive and Transition-Metal-Free: Oxidation of Secondary Alcohols by Sodium Hydride Xinbo Wang, Bo Zhang, … Continue reading

Posted in Uncategorized | 11 Comments

Science Online: We can make blogs first-class citizens in scholarly publishing

  #solo11 (Science Online) is fantastic as ever and very different from last year. Masses of great people to meet. Today (through Martin Fenner ) we’re going to look at how to use blogs for science. I’ll probably be blogging … Continue reading

Posted in Uncategorized | 3 Comments