Utilizing ChemSpider as a platform for education and exposure of student data to the community
<ul><ul><li>“ Build a Structure Centric Community to </li></ul></ul><ul><ul><li>Serve Chemists” </li></ul></ul><ul><ul><li...
Answer Questions <ul><li>Questions a student might ask… </li></ul><ul><ul><li>What is the structure of levulinic acid? </l...
media.obsessable.com <ul><li>As few interfaces as possible </li></ul>What do we all want? LESS interfaces
What is Levulinic Acid?
What is Levulinic Acid?
Basic Info
Wikipedia and External Links
External Links to Data
Google Patent Integration
Access to Articles <ul><li>RSC Journals </li></ul><ul><li>RSC Books </li></ul><ul><li>PubMed </li></ul><ul><li>Google Scho...
Access to Articles
Google Scholar
Experimental and Predicted Properties
ChemSpider : Spectra Linked
Spectra Linked
Spectra Linked
ChemSpider ID 24528095 NMR
Not Just NMR Data
How Could Students Help? Part 1  <ul><li>Students can help “curate” the data – check whether the spectra are consistent wi...
www.SpectralGame.com http://www.jcheminf.com/content/1/1/9
Spectral Game
Increasing Complexity
Spectral Game
True Curation of Data
How Could Students Help? Part 2 <ul><li>Add their own data to the database! </li></ul><ul><li>Spectra from: </li></ul><ul>...
Spectral Uploading <ul><li>Locate the structure of interest and deposit spectrum </li></ul>
Spectral Uploading <ul><li>Various types of NMR spectra supported  </li></ul>
Deposit spectra against new structure <ul><li>If a NEW compound has spectral data then deposit the structure onto ChemSpid...
How Else Can Students Help? <ul><li>Students can deposit single structures or thousands of structures – UNIQUE chemistry c...
Org Prep Daily  (Blog)
ChemSpider SyntheticPages
Submission process <ul><li>Register as a user </li></ul><ul><li>Use the Submit button and fill in the fields… </li></ul>
Submission Process <ul><li>Submissions reviewed by editorial board </li></ul><ul><li>Published as is or comments sent to a...
Micro- and Nano-publications <ul><li>Blogs, wiki entries and even Amazon book reviews are micro/nano-publications </li></u...
NEXT UP:  ChemSpider Education <ul><li>The Initial Vision of ChemSpider Education </li></ul><ul><ul><li>From last two year...
Thank you [email_address] Twitter: ChemSpiderman www.chemspider.com/blog SLIDES: www.slideshare.net/AntonyWilliams
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Utilizing ChemSpider As A Platform For Education And Exposure Of Student Data To The Community

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Educators and students now have access to rich internet resources of information. RSC’s ChemSpider is a community resource of structure-based chemistry delivering data including chemical compound collections, reaction synthesis procedures, physicochemical property and various forms of spectral data. ChemSpider offers the opportunity for the community to participate in populating, annotating and curating the data on ChemSpider. We believe that ChemSpider offers an opportunity for educators and students to participate in the ongoing development of a rich resource for the chemistry community. This presentation will suggest some potential uses of the ChemSpider website in terms of integrating into lesson plans. We will also outline how students can expose their structure and reaction-based research work via the ChemSpider platform for the benefit of the community and their online scientific reputation.

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Utilizing ChemSpider As A Platform For Education And Exposure Of Student Data To The Community

  1. 1. Utilizing ChemSpider as a platform for education and exposure of student data to the community
  2. 2. <ul><ul><li>“ Build a Structure Centric Community to </li></ul></ul><ul><ul><li>Serve Chemists” </li></ul></ul><ul><ul><li>Integrate chemical structure data on the web </li></ul></ul><ul><ul><li>Create a “structure-based hub” to information and data </li></ul></ul><ul><ul><li>Provide access to structure-based “algorithms” </li></ul></ul><ul><ul><li>Let chemists contribute their own data </li></ul></ul><ul><ul><li>Allow the community to curate/correct data </li></ul></ul>
  3. 3. Answer Questions <ul><li>Questions a student might ask… </li></ul><ul><ul><li>What is the structure of levulinic acid? </li></ul></ul><ul><ul><li>Chemically, what is phenolphthalein? </li></ul></ul><ul><ul><li>What are the stereocenters of cholesterol? </li></ul></ul><ul><ul><li>Where can I find publications about xylene? </li></ul></ul><ul><ul><li>What are the different trade names for Ketoconazole? </li></ul></ul><ul><ul><li>What is the NMR spectrum of Aspirin? </li></ul></ul><ul><ul><li>How can I synthesize 2,4-dichlorophenol? </li></ul></ul><ul><ul><li>What are the safety handling issues for Thymol Blue? </li></ul></ul>
  4. 4. media.obsessable.com <ul><li>As few interfaces as possible </li></ul>What do we all want? LESS interfaces
  5. 5. What is Levulinic Acid?
  6. 6. What is Levulinic Acid?
  7. 7. Basic Info
  8. 8. Wikipedia and External Links
  9. 9. External Links to Data
  10. 10. Google Patent Integration
  11. 11. Access to Articles <ul><li>RSC Journals </li></ul><ul><li>RSC Books </li></ul><ul><li>PubMed </li></ul><ul><li>Google Scholar </li></ul><ul><li>Google Books </li></ul><ul><li>Microsoft Academic Search </li></ul>
  12. 12. Access to Articles
  13. 13. Google Scholar
  14. 14. Experimental and Predicted Properties
  15. 15. ChemSpider : Spectra Linked
  16. 16. Spectra Linked
  17. 17. Spectra Linked
  18. 18. ChemSpider ID 24528095 NMR
  19. 19. Not Just NMR Data
  20. 20. How Could Students Help? Part 1 <ul><li>Students can help “curate” the data – check whether the spectra are consistent with the compound </li></ul><ul><li>If not then flag them, annotate them and provide feedback </li></ul><ul><li>OR…play the game </li></ul>
  21. 21. www.SpectralGame.com http://www.jcheminf.com/content/1/1/9
  22. 22. Spectral Game
  23. 23. Increasing Complexity
  24. 24. Spectral Game
  25. 25. True Curation of Data
  26. 26. How Could Students Help? Part 2 <ul><li>Add their own data to the database! </li></ul><ul><li>Spectra from: </li></ul><ul><ul><li>research projects </li></ul></ul><ul><ul><li>lab sessions </li></ul></ul><ul><ul><li>supplementary data sections in publications </li></ul></ul>
  27. 27. Spectral Uploading <ul><li>Locate the structure of interest and deposit spectrum </li></ul>
  28. 28. Spectral Uploading <ul><li>Various types of NMR spectra supported </li></ul>
  29. 29. Deposit spectra against new structure <ul><li>If a NEW compound has spectral data then deposit the structure onto ChemSpider first </li></ul>
  30. 30. How Else Can Students Help? <ul><li>Students can deposit single structures or thousands of structures – UNIQUE chemistry can be added and “claimed” </li></ul><ul><li>Data can be curated/edited and annotated – simply register and request the rights </li></ul><ul><li>25 million structures, >300 data sources…there are errors of course! </li></ul>
  31. 31. Org Prep Daily (Blog)
  32. 32. ChemSpider SyntheticPages
  33. 33. Submission process <ul><li>Register as a user </li></ul><ul><li>Use the Submit button and fill in the fields… </li></ul>
  34. 34. Submission Process <ul><li>Submissions reviewed by editorial board </li></ul><ul><li>Published as is or comments sent to author </li></ul><ul><li>Online Peer Review process </li></ul><ul><li>Data supported include web movies, images, live spectra etc. </li></ul>
  35. 35. Micro- and Nano-publications <ul><li>Blogs, wiki entries and even Amazon book reviews are micro/nano-publications </li></ul><ul><li>ChemSpider SyntheticPages will be DOI’ed – students can add these “micro-publications” to their resume </li></ul><ul><li>Structures and spectra are nano-publications – these can be tracked and referenced also. (depositions, curations etc). Students participate in building one of the premier sources of chemistry data. </li></ul>
  36. 36. NEXT UP: ChemSpider Education <ul><li>The Initial Vision of ChemSpider Education </li></ul><ul><ul><li>From last two years of secondary school to end of undergraduate </li></ul></ul><ul><ul><li>A smaller data slice of the overall database </li></ul></ul><ul><ul><li>Much simpler user interface – remove functionality </li></ul></ul><ul><ul><li>Introduction of more educational “games” </li></ul></ul><ul><ul><li>Hosting training/educational resources </li></ul></ul><ul><ul><li>Integrate existing RSC websites </li></ul></ul><ul><ul><li>If you have ideas, resources, materials…. </li></ul></ul>
  37. 37. Thank you [email_address] Twitter: ChemSpiderman www.chemspider.com/blog SLIDES: www.slideshare.net/AntonyWilliams

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