Monthly Archives: April 2007

Repositories or Lists of Open Molecules

I am looking for lists (or repositories) of small molecules with connection tables (or machine-parsable molecular structures) which are Open. By Open I mean that anyone can, in principle download, copy or clone part or all of the site, re-use … Continue reading

Posted in Uncategorized | 6 Comments

The SWORD is mightier than the pen

I am just relaxing in a hotel in Redmond, WA, US after two week's very hard work instead of going downtown Seattle and shopping (which I hate unless it is for Obelisks). So the posts are going in all directions … Continue reading

Posted in Uncategorized | 1 Comment

BioMOO and BlueObelisk Cemetery

Jean Clause Bradley posts in Nature Island Review Joanna Scott just wrote a nice little review of what is going on at Nature Island (slurl) on Nature's Nascent blog since her return from the American Chemical Society meeting in Chicago. … Continue reading

Posted in Uncategorized | 2 Comments

Another puzzle

I have blogged about the broken state of chemical information and the lack of semantics in current commercial chemical software and drawing tools. This is exemplified by the amount of incorrect structures received by publishers (and I have talked to … Continue reading

Posted in Uncategorized | 2 Comments

Pubchem Pigeons and Parrots

I 've pent some of the last two days talking with Steve Bryant who runs The PubChem Project. People often think (and I've been guilty of this) that there is a lot of junk in Pubchem (although the proportion is … Continue reading

Posted in Uncategorized | 7 Comments

Corrections and Retractions from the GreaseMonkey

In Correction/Retraction Notice Noel O'Blog (Noel was in our Centre until recently) shows how the Blue Obelisk Greasemonkey can show a richer view of the chemical literature. The greasemonkey, developed by Noel and others and reported in Blue Obelisk mailing … Continue reading

Posted in Uncategorized | 1 Comment

Sanctity of the scientific record

I have not read the chemical blogosphere for some time (other than Blue Obelisk) and have been catching up with some of this in the plane. This is ChemBark from January and some my specific comments may be out of … Continue reading

Posted in Uncategorized | 1 Comment

Centralisation or Federation?

Greg Pearl Says: April 25th, 2007 at 1:08 pm eSo is the World Wide Molecular Matrix planning on Collating data? All I was able to find was chemical structure generation. If you are planning on Collating the data ACD/Labs would … Continue reading

Posted in Uncategorized | Leave a comment

Alpha and beta

From the discussion on ChemZoo: Antony Williams Says: April 25th, 2007 at 3:00 pm eHi…banana-biter from ChemZoo here… one more at the chimps tea party. ChemSpider uses third party components for the generation of certain properties. Passing over 10 million … Continue reading

Posted in Uncategorized | 3 Comments

Comments from chemspider

Chemspider writes: - Name: Monkey at Development | E-mail: valt@chemspider.com | URI: http://www.chemspider.com | IP: 68.33.203.5 | Date: April 24, 2007 Peter, good catch - thanks for reporting. I’ve put a notice that properties are calculated for the main component … Continue reading

Posted in Uncategorized | 4 Comments