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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3 Responses to “ChemSpider Submits Its First Database to PubChem”

  1. ChemSpider News » Blog Archive » New Databases Have Been Submitted for Indexing on ChemSpider says:

    [...] by Enamine, Akos, the Human Metabolome Database, Drugbank and the FDA database of drugs discussed elsewhere. When these databases are available online we will post a declaration to this effect. Stumble [...]

  2. Antony Williams says:

    The data published by ChemSpider to PubChem can be reviewed at the following link: http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?CMD=search&DB=pcsubstance&term=ChemSpidersrc

  3. ChemSpider Blog » Blog Archive » ChemSpider as a part of Web 2.0 - and what is that Web 2.0 anyways? says:

    [...] a related vein ChemSpider just published data to PubChem and the same occurred – metadata was purposely removed. Regardless of what is uploaded to PubChem [...]

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