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Blog to Wikipedia to ChemSpider
 – Online Collaboration to Create
          a Wikipedia Article for
                    BMS-906024

                    Antony Williams
The Story
• Carmen Drahl live blogged new drugs at ACS New
  Orleans and a Wikipedia article was started
• Egon Willighagen asked me via Twitter to deposit
  the structure into ChemSpider
• I used the Wikibox function on ChemSpider to
  create the DrugBox content for Wikipedia
Live blogging First-Time
      Disclosures of Drug Structures
•
                from #ACSNOLA
    http://cenblog.org/the-haystack/2013/04/liveblogging-fir

• Cannot show screenshot of Carmen’s Blog post
  because it is flagged as
Request via Twitter
Draw and Save as Molfile
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Add Info
Email Confirmation
Published to ChemSpider
ChemSpider Record
Original Wikipedia DrugBox
Wikipedia vs. ChemSpider
• Wikipedia



• ChemSpider
Wikipedia vs. ChemSpider
• Wikipedia
  – O=C(N)C(CCC(F)
    (F)F)C(C(=O)NC3N=C(c1ccccc1)c2ccccc2N(C3(=O))
    C)CCC(F)(F)F


• ChemSpider
  – CN1c2ccccc2C(=N[C@@H](C1=O)NC(=O)[C@H]
    (CCC(F)(F)F)[C@H](CCC(F)(F)F)C(=O)N)c3ccccc3
Converted SMILES




ChemSpider SMILES     Wikipedia SMILES
BMS-906024 on ChemSpider
Wikibox
What can be exported
Wikipedia Updated
• Automatically updated
  by pasting DrugBox

•   Systematic Name added
•   ChemSpiderID added
•   Mol. Mass updated
•   SMILES updated
Conclusions
• BEST way to create new records in Wikipedia
  is to deposit to ChemSpider and generate the
  WikiBox from the deposited record
Acknowledgements
                                        •Carmen Drahl for the live blogging!
                                        •Egon Willighagen for the Tweet




Thank you
Email: williamsa@rsc.org
Twitter: ChemConnector
Personal Blog: www.chemconnector.com
SLIDES: www.slideshare.net/AntonyWilliams

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Generating Wikipedia DrugBoxes using ChemSpider Functionality