Category Archives: Uncategorized

The unacceptable state of Chemoinformatics

Posted on December 15, 2007 by pm286

Egon Willighagen has cricitized a numner of aspects of chemoinformatics: (I don’t blame Individuals in Commercial Chemoinformatics). This post was sparked off by an announcement that company A had agreed with company B that A would use B’s software. This … Continue reading →

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HypoScience

Posted on December 14, 2007 by pm286

I have blogged earlier (cyberscience: Changing the business model for access to data) on the lack of access to data in cyberscience – there may be a data deluge in some areas but there is a drought in many others. … Continue reading →

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Digital CurationDay – end

Posted on December 14, 2007 by pm286

The DCC finished with the customary summing up – state-of-the… – presentation by Cliff Lynch. Cliff’s talks are always entertaining – no visuals so you actually have to listen to the words. [(That’s not a bad thing. I’m thinking of … Continue reading →

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Digital Curation Day 2 – Jane Kwok and SCOPE

Posted on December 14, 2007 by pm286

For me the highlight of the late morning session was Jane Hunter and colleagues (Queensland) describing their SCOPE system of managing Compound Document Objects (CDO’s). Jane is a materials scientist turned informaticist (hope that’s fair) and we’d already been partners … Continue reading →

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Digital Curation day 2 – Carole on workflows

Posted on December 13, 2007 by pm286

There is a definitely an air of optimism in the conference – we know the taks are hard and very very diverse but it’s clear that many of them are understood.  The morning plenary was Carole Goble, Manchester – who … Continue reading →

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What is data deposition?

Posted on December 9, 2007 by pm286

 Chemspider raises an important and valuable issue. How is data reposited? ChemSpiderMan Says: Peter, as you saw from my other posts at http://wwmm.ch.cam.ac.uk/blogs/murrayrust/?p=854 I have followed the SPECTRa project with interest and read the “final report” recently.BAsed on your comment … Continue reading →

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Capturing SPECTRa

Posted on December 9, 2007 by pm286

Jean-Claude Bradley has blogged  JSpecView Article on Chemistry Central Robert Lancashire has just published an article in Chemistry Central Journal: The JSpecView Project: an Open Source Java viewer and converter for JCAMP-DX, and XML spectral data files Our lab has … Continue reading →

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Ontologies in Physics and Chemistry

Posted on December 9, 2007 by pm286

My colleague Nico Adams has just posted on ontologies (Ontologies are overrated?!?) Here’s a video by the indefatigable Michael Wesch and done in his inimitable style, arguing that maybe ontologies are not needed anymore and that the shelf is obsolete … Continue reading →

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Christoph Steinbeck moves to European Bioinformatics Institute (EBI)

Posted on December 9, 2007 by pm286

I’d known about this for a few days and am delighted it’s now public: I’m very delighted to announce my move to the European Bioinformatics Institute (EBI) in Hinxton near Cambridge, UK, at the beginning of 2008. At EBI, I … Continue reading →

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CML/MathML and OpenStreetmap in Bremen

Posted on November 30, 2007 by pm286

I haven’t posted much because I’m in Bremen (DE) working with Michael Kohlhase on the integration of CML and MathML into scientific publications. We’re hoping to come up with some guidelines shortly. Last tie I was here I got lost … Continue reading →

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