Terminal Dimethyl means Death by Methane twice

When writing talks I try to find interesting (and where possible fun) examples of how challenging the world of managing chemistry data is for all of us that work in the world of managing 10s of thousands, or in our cases millions of compound pages for the community to use. I have told many stories over the past few years of the challenges we collectively have in regards to data quality and how it flows between our databases unabated. My latest example used at the recent talk at the EBI (ChemSpider – An Online Database and Registration System Linking the Web) was the structure known as Terminal Dimethyl presently on PubChem, DrugBankWolfram Alpha and PDBe. It was originally inherited into ChemSpider also but has been deprecated. I left a comment on DrugBank a couple of weeks ago but it hasn’t been published yet…generally such errors are removed VERY quickly by the DrugBank hosts. I added a comment to Wolfram Alpha and received a canned response and no changes to the record as yet.

There ARE ways to communally resolve these issues and I will blog about that shortly.

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  1. #1 by Craig Knox on March 3, 2012 - 1:16 pm

    Hi Tony,

    My apologies, we received a glut of spam around that time on our comment system and I was recently exported the comments and happened to see your name in the XML file. I’ll have a look at this entry on Monday and deprecate it ASAP.


(will not be published)

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