Your SlideShare is downloading. ×
0
Open Notebook Science Jean-Claude Bradley Oct 23, 2008 NSF eChemistry Workshop Associate Professor of Chemistry Drexel Uni...
Motivation:  Faster Science,   Better Science
There are NO FACTS,  only measurements embedded within assumptions Open Notebook Science maintains the integrity of data p...
Measuring Solubilities in Southampton with Cameron Neylon Sept 3, 2008 usefulchem.wikispaces.com/exp207
Investigating solubilities in organic solvents Boc-glycine vanillin glucose NaCl
The Results in a GoogleDoc reliable unreliable
The solubility of 4-chlorobenzaldehyde
Open Chemistry Crowdsourcing
UsefulChem Project:  Open Primary Research in Drug Design using Web2.0 tools Docking Synthesis Testing Rajarshi Guha India...
Malaria Target: falcipain-2  involved in hemoglobin metabolism Dana.org
BLOG WIKI Mailing List GoogleDocs Architecture: Distributed, Interlinked and Redundant   ChemSpider CDD FriendFeed Nature ...
Where’s the Beef?
Link to Lab Notebook Page in Wiki
Link to Molecules
Link to Docking Procedure  (Rajarshi Guha)
Link to Docking Results:  Lists of SMILES in GoogleDocs  (Rajarshi Guha)
Link to Raw Data with JSpecView (data in JCAMP-DX format) (by Robert Lancashire)
Conclusion is Fully Supported
How did this experiment evolve? Third party timestamp
Comparing wiki page versions
Comparing Experiments Ugi Master Table
<ul><li>Concentration (0.4, 0.2, 0.07 M) </li></ul><ul><li>Solvent (methanol, ethanol, acetonitrile, THF) </li></ul><ul><l...
Mettler-Toledo MiniBlock System
Mettler-Toledo MiniMapper
XML reports from MiniMapper robot
GoogleDoc to program and report
Paper written on Wiki
References to papers, blog posts, lab notebook pages, raw data
Paper on Journal of Visualized Experiments (JoVE)
Pre-print on Nature Precedings
Outcome of Guha-Bradley-Rosenthal collboration
Acknowledgements <ul><li>Khalid Mirza (Drexel) </li></ul><ul><li>Kevin Owens (Drexel) </li></ul><ul><li>Tim Bohinsky (Drex...
Upcoming SlideShare
Loading in...5
×

NSF eChemistry workshop

1,551

Published on

NSF workshop on sharing data in chemistry in Washington, DC on Oct 23, 2008.

Published in: Education, Technology
2 Comments
0 Likes
Statistics
Notes
  • Be the first to like this

No Downloads
Views
Total Views
1,551
On Slideshare
0
From Embeds
0
Number of Embeds
0
Actions
Shares
0
Downloads
5
Comments
2
Likes
0
Embeds 0
No embeds

No notes for slide

Transcript of "NSF eChemistry workshop"

  1. 1. Open Notebook Science Jean-Claude Bradley Oct 23, 2008 NSF eChemistry Workshop Associate Professor of Chemistry Drexel University
  2. 2. Motivation: Faster Science, Better Science
  3. 3. There are NO FACTS, only measurements embedded within assumptions Open Notebook Science maintains the integrity of data provenance by making assumptions explicit
  4. 4. Measuring Solubilities in Southampton with Cameron Neylon Sept 3, 2008 usefulchem.wikispaces.com/exp207
  5. 5. Investigating solubilities in organic solvents Boc-glycine vanillin glucose NaCl
  6. 6. The Results in a GoogleDoc reliable unreliable
  7. 7. The solubility of 4-chlorobenzaldehyde
  8. 8. Open Chemistry Crowdsourcing
  9. 9. UsefulChem Project: Open Primary Research in Drug Design using Web2.0 tools Docking Synthesis Testing Rajarshi Guha Indiana U JC Bradley Drexel U Phil Rosenthal UCSF (malaria) Dan Zaharevitz NCI (tumors) Tsu-Soo Tan Nanyang Inst.
  10. 10. Malaria Target: falcipain-2 involved in hemoglobin metabolism Dana.org
  11. 11. BLOG WIKI Mailing List GoogleDocs Architecture: Distributed, Interlinked and Redundant ChemSpider CDD FriendFeed Nature Precedings JoVE
  12. 12. Where’s the Beef?
  13. 13. Link to Lab Notebook Page in Wiki
  14. 14. Link to Molecules
  15. 15. Link to Docking Procedure (Rajarshi Guha)
  16. 16. Link to Docking Results: Lists of SMILES in GoogleDocs (Rajarshi Guha)
  17. 17. Link to Raw Data with JSpecView (data in JCAMP-DX format) (by Robert Lancashire)
  18. 18. Conclusion is Fully Supported
  19. 19. How did this experiment evolve? Third party timestamp
  20. 20. Comparing wiki page versions
  21. 21. Comparing Experiments Ugi Master Table
  22. 22. <ul><li>Concentration (0.4, 0.2, 0.07 M) </li></ul><ul><li>Solvent (methanol, ethanol, acetonitrile, THF) </li></ul><ul><li>Excess of some reagents (1.2 eq.) </li></ul>Reaction to Optimize
  23. 23. Mettler-Toledo MiniBlock System
  24. 24. Mettler-Toledo MiniMapper
  25. 25. XML reports from MiniMapper robot
  26. 26. GoogleDoc to program and report
  27. 27. Paper written on Wiki
  28. 28. References to papers, blog posts, lab notebook pages, raw data
  29. 29. Paper on Journal of Visualized Experiments (JoVE)
  30. 30. Pre-print on Nature Precedings
  31. 31. Outcome of Guha-Bradley-Rosenthal collboration
  32. 32. Acknowledgements <ul><li>Khalid Mirza (Drexel) </li></ul><ul><li>Kevin Owens (Drexel) </li></ul><ul><li>Tim Bohinsky (Drexel) </li></ul><ul><li>James Giammarco (Drexel) </li></ul><ul><li>Tom Osborne (Mettler-Toledo) </li></ul><ul><li>Antony Williams (ChemSpider) </li></ul><ul><li>Andrew Lang (Oral Roberts U.) </li></ul><ul><li>Cameron Neylon (Southampton U.) </li></ul>
  1. A particular slide catching your eye?

    Clipping is a handy way to collect important slides you want to go back to later.

×