ChemSpider: Collecting and Curating the
World’s Chemistry with the Community
What are Trustworthy Sources Online?
What is the modern online search?
What is Methane?
What is Methane?
What ELSE is Methane???
Chemistry is Complex
Where is chemistry online?
 Encyclopedic articles (Wikipedia)
 Chemical company databases
 Metabolic pathway databases
...
As few interfaces as possible
What do humans want?
A Pragmatic Vision
“Build a Structure Centric Community”
 Integrate chemical structure data on the web
 Create a “struct...
Resourcing structure-based info
ChemSpider Searches
What is Levulinic Acid?
Basic Info
External Links
External Links to Data
Patent Integration
Google Patent Integration
Access to Articles
 RSC Journals
 RSC Books
 PubMed
 Google Scholar
 Google Books
 Microsoft Academic Search
Articles Linked
The RSC Publishing Platform (Beta)
RSC Databases
 Direct links into six Royal Society of Chemistry
databases
 Mass Spectrometry Bulletin
 Laboratory Hazar...
Access to Articles
Google Scholar
Experimental and Predicted Properties
Experimental and Predicted Properties
Links from ChemSpider
 Chemical suppliers
 Other publications
 Analytical Data
 Related Reactions
 Wikipedia
 Patent...
Linked Data on the Web
How “Big” is ChemSpider?
 Nearly 25 million compounds, >400 data sources
 A crowdsourced deposition and curation platfor...
Citizen Scientists Add and Validate
Crowd-sourcing Chemistry Curation
 Crowd-sourced curation: identify errors, add and
edit data in a “controlled environmen...
Citizens as Data Sources
What do computers want? “Interfaces”
Web services
flickr.com/photos/microcosmos
ChemSpider Everywhere: ChemMobi
Mobile ChemSpider
ChemSpider Multimedia Content
 The web is of course a multimedia host today
 ChemSpider is a multimedia host for Chemist...
Multimedia Content Holder
Periodic Table Images
CAS SciFinder
reaxys
Differences between ChemSpider,
Reaxys and SciFinder
 Everything on Reaxys and Scifinder is curated
 The data resources ...
Semantic Markup: Project Prospect
Semantic Linking of Publications
 What would you want
to link off a structure?
 Chemical suppliers
 Other publications
...
Chemistry on the Internet FUTURE
 The “semantic web” for chemistry is in place
 Crowdsourcing is commonplace
 Chemists ...
Community Contribution
 ChemSpider wins “Community
contribution” best practice award”
 ChemSpider wins I-Expo innovation...
Thank you
antony.williams@chemspider.com
Twitter: ChemSpiderman
www.chemspider.com/blog
SLIDES: www.slideshare.net/AntonyW...
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ChemSpider Overview Presentation at Special Libraries Association

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This is a "vendor presentation" that I gave in New Orleans on June 14th 2010. It is a very general presentation on ChemSpider relevant to the needs of librarians.

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ChemSpider Overview Presentation at Special Libraries Association

  1. 1. ChemSpider: Collecting and Curating the World’s Chemistry with the Community
  2. 2. What are Trustworthy Sources Online?
  3. 3. What is the modern online search?
  4. 4. What is Methane?
  5. 5. What is Methane?
  6. 6. What ELSE is Methane???
  7. 7. Chemistry is Complex
  8. 8. Where is chemistry online?  Encyclopedic articles (Wikipedia)  Chemical company databases  Metabolic pathway databases  Property databases  Patents with chemical structures  Drug Discovery data  Scientific publications  Blogs/Wikis  Why not integrate it all?!
  9. 9. As few interfaces as possible What do humans want?
  10. 10. A Pragmatic Vision “Build a Structure Centric Community”  Integrate chemical structure data on the web  Create a “structure-based hub” to information and data  Provide access to structure-based “algorithms”  Let chemists contribute their own data  Allow the community to curate/correct data
  11. 11. Resourcing structure-based info
  12. 12. ChemSpider Searches
  13. 13. What is Levulinic Acid?
  14. 14. Basic Info
  15. 15. External Links
  16. 16. External Links to Data
  17. 17. Patent Integration
  18. 18. Google Patent Integration
  19. 19. Access to Articles  RSC Journals  RSC Books  PubMed  Google Scholar  Google Books  Microsoft Academic Search
  20. 20. Articles Linked
  21. 21. The RSC Publishing Platform (Beta)
  22. 22. RSC Databases  Direct links into six Royal Society of Chemistry databases  Mass Spectrometry Bulletin  Laboratory Hazards Bulletin  Methods in Organic Synthesis  Catalysts and Catalyzed Reactions  Natural Product Updates  Analytical Abstracts
  23. 23. Access to Articles
  24. 24. Google Scholar
  25. 25. Experimental and Predicted Properties
  26. 26. Experimental and Predicted Properties
  27. 27. Links from ChemSpider  Chemical suppliers  Other publications  Analytical Data  Related Reactions  Wikipedia  Patents  “Everything”
  28. 28. Linked Data on the Web
  29. 29. How “Big” is ChemSpider?  Nearly 25 million compounds, >400 data sources  A crowdsourced deposition and curation platform  Grows daily – more depositions, more data  But now also a publishing platform for the community
  30. 30. Citizen Scientists Add and Validate
  31. 31. Crowd-sourcing Chemistry Curation  Crowd-sourced curation: identify errors, add and edit data in a “controlled environment”
  32. 32. Citizens as Data Sources
  33. 33. What do computers want? “Interfaces” Web services flickr.com/photos/microcosmos
  34. 34. ChemSpider Everywhere: ChemMobi
  35. 35. Mobile ChemSpider
  36. 36. ChemSpider Multimedia Content  The web is of course a multimedia host today  ChemSpider is a multimedia host for Chemistry  Images  MP3s  Videos  Chemistry data: spectra, crystal structures
  37. 37. Multimedia Content Holder
  38. 38. Periodic Table Images
  39. 39. CAS SciFinder
  40. 40. reaxys
  41. 41. Differences between ChemSpider, Reaxys and SciFinder  Everything on Reaxys and Scifinder is curated  The data resources can be over a 100 years old  The platforms are commercial and “read-only”  ChemSpider is free, to everyone  Data are in a state of ongoing curation & annotation  Data resources are from the “electronic era”  Data are expanded daily and enhanced on an ongoing basis  The platform delivers integrated algorithm access
  42. 42. Semantic Markup: Project Prospect
  43. 43. Semantic Linking of Publications  What would you want to link off a structure?  Chemical suppliers  Other publications  Analytical Data  Related Reactions  Wikipedia  Patents  “Everything”
  44. 44. Chemistry on the Internet FUTURE  The “semantic web” for chemistry is in place  Crowdsourcing is commonplace  Chemists will search the web by “structure”  Chemistry articles indexed and searchable  Reduced number of searches to find data because data are integrated – compounds, vendors, syntheses, data, publications and patents  A world of Open Access and Open Data
  45. 45. Community Contribution  ChemSpider wins “Community contribution” best practice award”  ChemSpider wins I-Expo innovation award, Paris, France, June 2010
  46. 46. Thank you antony.williams@chemspider.com Twitter: ChemSpiderman www.chemspider.com/blog SLIDES: www.slideshare.net/AntonyWilliamsSLIDES: www.slideshare.net/AntonyWilliams
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