Crowdsourced Chemistry – Why Online Chemistry Data Needs Your Help
www.dhmo.org
www.dhmo.org
Di-Hydrogen Monoxide
Di-Hydrogen  Monoxide <ul><li>2H </li></ul>
Di-Hydrogen   Monoxide <ul><li>2H + 1O </li></ul>
Di-Hydrogen Monoxide <ul><li>H2O </li></ul>
Di-Hydrogen Monoxide <ul><li>H2O </li></ul><ul><li>Water </li></ul>
It’s all on Wikipedia…
It’s all on Wikipedia…
Chemistry on The Internet Is Messy
It’s Methane…
What’s Methane?
What’s Methane?
What  ELSE  is Methane???
What  ELSE  is Methane???
What  ELSE  is Methane???
Truly  “I Love You”
Chemistry is REALLY Messy
Vancomycin <ul><li>Who will curate? </li></ul><ul><li>How would you clean such a large dataset? </li></ul><ul><li>3 days o...
Trust the  AUTHORITY !
Bonds  ARE important!
It’s Better to Have an  Entire  Molecule!
Does Stereochemistry Matter??
Yes,  ONE  stereocenter matters!!! <ul><li>Thalidomide </li></ul>
The EXPERTS must get it right?!
Wikipedia? American Chemical Society? <ul><li>C&E News (from ACS) </li></ul>
Online Chemistry <ul><li>Online Chemistry is DIRTY </li></ul><ul><li>Wikipedia “structures” are very good! A curation team...
Crowdsourced Curation <ul><li>Use the wisdom of the crowd to curate chemistry! </li></ul><ul><li>www.chemspider.com </li><...
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Crowdsourced Chemistry – Why Online Chemistry Data Needs Your Help

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This is the Ignite talk that I gave at ScienceOnline2010 #sci010 in the Research Triangle Park in North Carolina on January 16th 2010. This was supposed to be a 5 minute talk highlighting the quality of chemistry data on the internet. Ok, it was a little tongue in cheek because it was an after dinner talk and late at night but the data are real, the problem is real and the need for data curation of chemistry data online is real. On ChemSpider we have provided a platform to deposit and curate data.The video is here on YouTube: http://tinyurl.com/yekmmfg

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Crowdsourced Chemistry – Why Online Chemistry Data Needs Your Help

  1. 1. Crowdsourced Chemistry – Why Online Chemistry Data Needs Your Help
  2. 2. www.dhmo.org
  3. 3. www.dhmo.org
  4. 4. Di-Hydrogen Monoxide
  5. 5. Di-Hydrogen Monoxide <ul><li>2H </li></ul>
  6. 6. Di-Hydrogen Monoxide <ul><li>2H + 1O </li></ul>
  7. 7. Di-Hydrogen Monoxide <ul><li>H2O </li></ul>
  8. 8. Di-Hydrogen Monoxide <ul><li>H2O </li></ul><ul><li>Water </li></ul>
  9. 9. It’s all on Wikipedia…
  10. 10. It’s all on Wikipedia…
  11. 11. Chemistry on The Internet Is Messy
  12. 12. It’s Methane…
  13. 13. What’s Methane?
  14. 14. What’s Methane?
  15. 15. What ELSE is Methane???
  16. 16. What ELSE is Methane???
  17. 17. What ELSE is Methane???
  18. 18. Truly “I Love You”
  19. 19. Chemistry is REALLY Messy
  20. 20. Vancomycin <ul><li>Who will curate? </li></ul><ul><li>How would you clean such a large dataset? </li></ul><ul><li>3 days of effort with EBI </li></ul><ul><li>Assertions!!! </li></ul>
  21. 21. Trust the AUTHORITY !
  22. 22. Bonds ARE important!
  23. 23. It’s Better to Have an Entire Molecule!
  24. 24. Does Stereochemistry Matter??
  25. 25. Yes, ONE stereocenter matters!!! <ul><li>Thalidomide </li></ul>
  26. 26. The EXPERTS must get it right?!
  27. 27. Wikipedia? American Chemical Society? <ul><li>C&E News (from ACS) </li></ul>
  28. 28. Online Chemistry <ul><li>Online Chemistry is DIRTY </li></ul><ul><li>Wikipedia “structures” are very good! A curation team of many people working on then for 2 years </li></ul><ul><li>Chemistry databases are polluted </li></ul><ul><li>Online Chemistry needs curating… </li></ul>
  29. 29. Crowdsourced Curation <ul><li>Use the wisdom of the crowd to curate chemistry! </li></ul><ul><li>www.chemspider.com </li></ul><ul><li>23.5 Million chemicals </li></ul><ul><li>300 Data Sources </li></ul><ul><li>Open platform for deposition and curation </li></ul>

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