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Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
Generating Wikipedia DrugBoxes using ChemSpider Functionality
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 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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  • 1. Blog to Wikipedia to ChemSpider – Online Collaboration to Create a Wikipedia Article for BMS-906024 Antony Williams
  • 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. 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. Request via Twitter
  • 5. Draw and Save as Molfile
  • 6. Add Info
  • 7. Email Confirmation
  • 8. Published to ChemSpider
  • 9. ChemSpider Record
  • 10. Original Wikipedia DrugBox
  • 11. Wikipedia vs. ChemSpider• Wikipedia• ChemSpider
  • 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. Converted SMILESChemSpider SMILES Wikipedia SMILES
  • 14. BMS-906024 on ChemSpider
  • 15. Wikibox
  • 16. What can be exported
  • 17. Wikipedia Updated• Automatically updated by pasting DrugBox• Systematic Name added• ChemSpiderID added• Mol. Mass updated• SMILES updated
  • 18. Conclusions• BEST way to create new records in Wikipedia is to deposit to ChemSpider and generate the WikiBox from the deposited record
  • 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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