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Short Overview of ChemSPider at Drexel University
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Short Overview of ChemSPider at Drexel University


This presentation was written to deliver before the live overview of CHemSPider. The live presentation is captured here on video: …

This presentation was written to deliver before the live overview of CHemSPider. The live presentation is captured here on video: http://www.chemspider.com/blog/my-full-presentation-at-drexel-university.html

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  • 1. ChemSpider – Building a Structure Centric Community for Chemists Antony Williams Drexel University August 2008
  • 2. ChemSpider Data
    • The database PRESENTLY contains > 21.5 million compounds obtained from
      • Chemical vendors
      • Publishers
      • Commercial Database Vendors
      • US and international patents
      • Structure aggregators
      • Scraped from websites
      • Deposited by users
  • 3. Common Questions Asked of Chemspider
    • What is the structure of “insert name”?
    • What is the name of “insert structure”?
    • Where can I find information about “insert name”?
    • Where can I buy some “insert name”
    • Where can I find more information about “insert name”
    • What is the “insert property” of “insert name”
  • 4. Tell me about Xanax..
  • 5. Tell me about Xanax
  • 6. Balloon Call-Out Assistant
  • 7. Links to KEGG
  • 8. Wikipedia
  • 9. Multiple Journal Articles
  • 10. What’s it called???
  • 11. LogP? LogD? PSA?
  • 12. Toxicity/Safety Information
  • 13. Prediction for Structures NOT on ChemSpider
  • 14. Real time prediction – free of charge
  • 15. Search Open Access Journals – ChemSpider
  • 16. Open Access Literature Searching
  • 17. What is ChemSpider now?
    • A chemistry search engine
    • Allows text-searching of ca. 500,000 open access chemistry articles from over a dozen publishers
    • Online Physchem Prediction
    • Web-services for searching and integration
    • A platform for depositing and curating data
  • 18. A Question…
    • Is there enough novel chemistry on ChemSpider to be indexed?
      • Novel fully characterized compounds are deposited on ChemSpider on a weekly basis.
    • Can ChemSpider host Open Notebook Science efforts?
      • System presently hosts ONS efforts but needs to switch workflow from structure-centric to sample-centric
      • Nevertheless…
  • 19. UsefulChem Open Notebook Science
  • 20. UsefulChem Open Notebook Science
  • 21. UsefulChem Open Notebook Science
  • 22. UsefulChem Open Notebook Science
  • 23. Hands On Tutorial