Blog to Wikipedia to ChemSpider – Online Collaboration to Create          a Wikipedia Article for                    BMS-9...
The Story• Carmen Drahl live blogged new drugs at ACS New  Orleans and a Wikipedia article was started• Egon Willighagen a...
Live blogging First-Time      Disclosures of Drug Structures•                from #ACSNOLA    http://cenblog.org/the-hayst...
Request via Twitter
Draw and Save as Molfile
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• Ch...
Converted SMILESChemSpider 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 u...
Conclusions• BEST way to create new records in Wikipedia  is to deposit to ChemSpider and generate the  WikiBox from the d...
Acknowledgements                                        •Carmen Drahl for the live blogging!                              ...
Generating Wikipedia DrugBoxes using ChemSpider Functionality
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Generating Wikipedia DrugBoxes using ChemSpider Functionality

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The story is that 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 so I used the Wikibox function on ChemSpider to create the DrugBox content for Wikipedia. The result is integration, better quality and self-consistent data and good connections between ChemSpider and Wikipedia.

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Transcript of "Generating Wikipedia DrugBoxes using ChemSpider Functionality "

  1. 1. Blog to Wikipedia to ChemSpider – Online Collaboration to Create a Wikipedia Article for BMS-906024 Antony Williams
  2. 2. 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
  3. 3. 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
  4. 4. Request via Twitter
  5. 5. Draw and Save as Molfile
  6. 6. Add Info
  7. 7. Email Confirmation
  8. 8. Published to ChemSpider
  9. 9. ChemSpider Record
  10. 10. Original Wikipedia DrugBox
  11. 11. Wikipedia vs. ChemSpider• Wikipedia• ChemSpider
  12. 12. 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
  13. 13. Converted SMILESChemSpider SMILES Wikipedia SMILES
  14. 14. BMS-906024 on ChemSpider
  15. 15. Wikibox
  16. 16. What can be exported
  17. 17. Wikipedia Updated• Automatically updated by pasting DrugBox• Systematic Name added• ChemSpiderID added• Mol. Mass updated• SMILES updated
  18. 18. Conclusions• BEST way to create new records in Wikipedia is to deposit to ChemSpider and generate the WikiBox from the deposited record
  19. 19. Acknowledgements •Carmen Drahl for the live blogging! •Egon Willighagen for the TweetThank youEmail: williamsa@rsc.orgTwitter: ChemConnectorPersonal Blog: www.chemconnector.comSLIDES: www.slideshare.net/AntonyWilliams

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