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Thursday, November 29, 2007

ChemSpider data added to PubChem

Antony Williams, The Entire ChemSpider Database is On Its Way to PubChem! ChemSpider Blog, November 28, 2007.  Excerpt:

I have blogged previously about the fact that we are willing to share the entire ChemSpider structure collection with anyone who wants it. Specifically PubChem are willing to accept it..and YES, I have pointed out that they will be receiving back their own structure collection too since we deposited it on ChemSpider.

What’s the value of redepositing the same structures to PubChem? There are actually many - structures on PubChem connected out to ChemSpider will now be connected to Patents, those structures will be connected to analytical data, they will be connected to additional identifiers not available on PubChem, they will be connected to curated identifiers (compare the list of names for methane on PubChem versus ChemSpider), they will be connected to Supplementary Data, and they will be connected to additional predicted properties. So, there is actually a LOT of value in having the links back to ChemSpider from PubChem.

Our best estimate is that there will be about 8 million new structures finding their way to PubChem from ChemSpider.

Now, I was close to thinking that we could declare that the ChemSpider structure collection was Open Data. I’ve posted about Open Data and it’s definitions and challenges previously (1,2). PMR , one of the primary evangelists of Open Data and its definitions is continuing to refine the definitions of Open Data....