Category Archives: chemistry

A snapshot of the chemical blogosphere

Posted on June 28, 2007 by pm286

I want to show the mathematicians the vibrancy and value of the chemical blogosphere so – at random – I picked today’s TotallySynthetic. By chance it’s very fitting as it is a review of a paper by one of the … Continue reading →

Posted in "virtual communities", chemistry | 2 Comments

Synergy between "MKM"-math and "CML"

Posted on June 28, 2007 by pm286

In this post I am using the context of the Mathematical Knowledge Management 2007 conference to try to construct similarities in the MathML and CML communities and their thought processes. I’ll show this list in my presentation tomorrow – I … Continue reading →

Posted in chemistry, mkm2007, programming for scientists | Leave a comment

OpenMath/MathML, CML and communities of practice

Posted on June 28, 2007 by pm286

James Davenport – one of the originators of OpenMath is presenting the current status. (OpenMath and MathML are converging and although they are distinct I shall confalte them here). What is the formal semantics? OM has 4 flags: official experimental … Continue reading →

Posted in chemistry, mkm2007 | Leave a comment

What we do at UCC – job opportunity in Polymer Informatics

Posted on June 26, 2007 by pm286

I don’t normally say very much in this blog about what our day jobs are; now is a useful time to do so. The Centre is sponsored by Unilever PLC – the multinational company with many brands in foods and … Continue reading →

Posted in chemistry, Uncategorized | Leave a comment

The NIHghts who say 'no' – to chemoinformatics

Posted on June 23, 2007 by pm286

A recent post from The Sceptical Chymist: The NIHghts who say ‘no [1] The NIHghts who say ‘no’ Apologies to our international readers for the U.S.-centric post, but the National Institutes of Health announced earlier today that PAR-07-353, a grant … Continue reading →

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CML on ICE – towards Open chemical/scientific authoring

Posted on June 23, 2007 by pm286

Because WWMM had outages my blogging is behind and I’d written a post on Peter Sefton’s ICE. Peter and I met at ETD2007 and immediately clicked. But WWMM went to sleep and I haven’t reposted. Peter has beaten me to … Continue reading →

Posted in "virtual communities", blueobelisk, chemistry, data, etd2007, programming for scientists | 2 Comments

Author Choice in Chemistry at ACS – and elsewhere?

Posted on June 23, 2007 by pm286

A number of closed access journals/publishers have brought out “Author Choice” and similar approaches where authors pay publishers for “open access”. The details probably varies from publisher to publisher and I have been idly looking for examples in chemistry. It … Continue reading →

Posted in chemistry, data, open issues | Leave a comment

Useful chemistry thesis in RDF

Posted on June 10, 2007 by pm286

I shall be using Alicia’s Open Science Thesis in Useful Chemistry as a technical demonstrator at ETD2007. I really want to show how a born digital thesis is a qualitative step forward. Completely new techniques can be used to structure, … Continue reading →

Posted in chemistry, etd2007, open issues, XML | 3 Comments

OSCAR eats an Open thesis

Posted on June 9, 2007 by pm286

As regular readers will know we are applying text-mining to chemistry in Open theses. The problem is finding fully Open theses – so far we have got Alicia’s. Alicia has captured all here molecules in semantic form so text-mining isn’t … Continue reading →

Posted in chemistry, etd2007, open issues | 1 Comment

Alicia's Open Science Thesis

Posted on June 8, 2007 by pm286

Jean-Claude Bradley and coworkers has pioneered the concept of Open Science in chemistry – and it goes beyond that. On UsefulChem he writes: The fact that Alicia’s masters thesis “Synthesis of Diketopiperazines, Possible Malaria Enoyl Reducatase Inhibitors Using Open Source … Continue reading →

Posted in blueobelisk, chemistry, data, open issues | 5 Comments