ChemSpider Blog

ChemSpider has been set up with the intention of providing value to the chemical community in various ways. Direct usage of the ChemSpider system and its associated services is the most direct manner but we have made a commitment to ourselves to ensure that we return value to the date source providers supporting ChemSpider. We intend to do this through the process of curation as well as by providing data to the public domain.

In this regard ChemSpider has submitted our first database to PubChem. This database will be indexed on ChemSpider shortly. This database is generated from the conversion of a series of chemical names to chemical structures and has been performed in collaboration with Advanced Chemistry Development (ACD/Labs) using a number of their tools as detailed in a technical note posted at their site. ACD/Labs has also made the database available at their website in ChemFolder format. The database is available in SDF format by downloading the data from PubChem.

The database in question is a derivative work of a database downloaded in text file format from the U.S. Food and Drug Administration (FDA) site. ChemSpider has every intention to continue contributing such data back to the community on an ongoing basis and will post additional databases in the future.

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This entry was posted on Monday, May 7th, 2007 at 5:27 pm and is filed under Quality and Content. You can follow any responses to this entry through the RSS 2.0 feed. You can leave a response, or trackback from your own site.