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Spectral Game ACS Fall 09


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Jean-Claude Bradley presents on the Spectral Game at the American Chemical Society meeting in Washington, DC on August 17, 2009. The talk provides an overview of how openness in both teaching and research can help generate new educational resources, especially for teaching NMR. The Spectral Game is powered by the ChemSpider database via Open Data JCAMP-DX spectral depositions. The other developers of the game are Andrew Lang and Robert Lancashire an Antony Williams.

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Spectral Game ACS Fall 09

  1. 1. The Spectral Game: Learning spectroscopy using open data Jean-Claude Bradley August 17, 2009 American Chemical Society Associate Professor of Chemistry Drexel University Antony Williams Chemspider /RSC
  2. 2. Open and Closed Science Traditional Lab Notebook (unpublished) Traditional Journal Article Open Access Journal Article Open Notebook Science (full transparency) CLOSED OPEN Traditional Paper Textbook F2F lectures Lectures Notes public Assigned problems public Archived Lectures Public and free online textbooks RESEARCH TEACHING
  3. 3. Motivation: Faster Science, Better Science
  4. 4. There are NO FACTS, only measurements embedded within assumptions Open Notebook Science maintains the integrity of data provenance by making assumptions explicit
  6. 6. Raw Data Made Public Splatter? Some liquid
  7. 7. YouTube for demonstrating experimental set-up
  8. 8. Proof of Purity with interactive NMR spectrum using JSpecView and JCAMP-DX
  9. 9. Linking to Molecules in Chemistry Databases
  10. 10. Experimental Spectra and User-Deposited Data on ChemSpider
  11. 11. (Andy Lang, Tony Williams) Open Data JCAMP spectra for education (Jean-Claude Bradley, Andy Lang, Tony Williams, Robert Lancashire)
  12. 12. The game starts easy
  13. 13. Later in the game: time limit and more molecules
  14. 14. Database Curation via Game Playing
  15. 15. Flagged spectra get investigated
  16. 16. Over 50,000 spectrum views so far - worldwide
  17. 17. 2D NMR viewer built (Andy Lang)
  18. 18. NMR game in Second Life (Andy Lang)
  19. 19. Interacting with the spectra via chat
  20. 20. Say: zoom 2.1-2.3
  21. 21. Semi-Automated Measurement of solubility via web service analysis of JCAMP-DX files (Andy Lang)
  22. 22. Article on the game also open
  23. 23. Article written in the open on a wiki
  24. 24. Another open paper on the Journal of Visualized Experiments (JoVE)
  25. 25. Pre-print on Nature Precedings
  26. 26. ChemSpider Automated Mark-up of Chemical Names
  27. 27. Link Spectral Game to Open Educational Content
  28. 28. Lecture screencasts available
  29. 29. Remixing Code and Content (Andy Lang)