Author Archives: pm286

SPECTRa and SPECTRa-T

Posted on April 13, 2007 by pm286

Every chemistry department spends millions each year on determining crystal structures, calculating properties of molecules and measuring spectra for newly synthesised compounds. The data are potentially extremely valuable, but almost all of them are lost. Of those that are saved … Continue reading →

Posted in open issues, Uncategorized | Leave a comment

Open * [Chris Swain]

Posted on April 13, 2007 by pm286

Until the blog cruft disappears I’ll try to repost comments. Here’s one from Chrsi Swain From: Chris Swain Subject: Blog Date: Thu, 12 Apr 2007 09:22:22 +0100 Hi, Great to see you back! I tried to post this comment but … Continue reading →

Posted in Uncategorized | Leave a comment

Ownership/Copyright of Comments and Email

Posted on December 19, 2006 by pm286

David Goodman raises a question in response to this post: December 18th, 2006 at 11:33 pm e excerpted and adapted from my Dec 18 posting on the SPARC-OA list:As an example, relevant to this very posting, I quote from this … Continue reading →

Posted in general, Uncategorized | 3 Comments

Open Data: more on ALPSP and STM statement

Posted on December 14, 2006 by pm286

The next few posts will contain a substantial amount of comment (hopefully from you, dear readers and commentators) on the June 2006 ALPSP/STM statement on data in scholarly publications. I’m kicking myself for missing it. I plead that I have … Continue reading →

Posted in data, open issues | 2 Comments

Open Data : help from ALPSP and STM

Posted on December 13, 2006 by pm286

I’m over the moon! Richard (from the Royal Society of Chemistry) has commented on my post: about the ownership and licensing of data Richard Says: December 13th, 2006 at 3:27 pm eAnd of course, publishers (well, ALPSP and STM members) … Continue reading →

Posted in data, open issues | 1 Comment

Open Data: help from Microsoft

Posted on December 12, 2006 by pm286

In reply to my last post (about the idea of adding Creative Commons licenses to scientific data)… Robin Rice Says: December 12th, 2006 at 7:04 pm eThere was an article in the October issue of Ariadne, Creative Commons Licences in … Continue reading →

Posted in data, open issues | Leave a comment

Open Data – what can I do? Simple, legal, viral suggestion

Posted on December 12, 2006 by pm286

Following discussion on the SPARC Open Data list I got a mail: I’d like to hear more discussion on open data, too. In particular, what are the practical approaches that will help adoption of open data by researchers themselves? We … Continue reading →

Posted in "virtual communities", open issues | 14 Comments

Egon on SMILES InChI CML and RSS

Posted on December 10, 2006 by pm286

on Planet Blue Obelisk Egon Willighagen (chemblaics) blogged on: Including SMILES, CML and InChI in blogs I agree with everything Egon says and add comments. (Incidentally WordPress and Planet remove the microformats so please read his original for the correct … Continue reading →

Posted in open issues, XML | 1 Comment

Why bother with new technology?

Posted on December 10, 2006 by pm286

Kinasepro has blogged about discussions of new chemoinformatics technology (specifically CML (Chemical Markup Language) and InChI (chemical identifier)). Here’s the post and some correspondence. It’s basically about the introduction of new technology. Obviously I’m not neutral but I will try … Continue reading →

Posted in chemistry, open issues, XML | 5 Comments

What is a chemical compound? and what's a label

Posted on December 9, 2006 by pm286

Steve Bachrach poses an interesting question on the CHMINF-L list. I have omitted the citations and some other material – you can read the archive if necessary.   I have run into an interesting chemical problem that has led to … Continue reading →

Posted in chemistry | 4 Comments