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Crowdsourced Chemistry – Why Online Chemistry Data Needs Your Help
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www.dhmo.org
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www.dhmo.org
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Di-Hydrogen Monoxide
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Di-Hydrogen Monoxide
2H
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Di-Hydrogen Monoxide
2H + 1O
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Di-Hydrogen Monoxide
H2O
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Di-Hydrogen Monoxide
H2OWater
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It’s all on Wikipedia…
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It’s all on Wikipedia…
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Chemistry on The Internet Is Messy
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It’s Methane…
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What’s Methane?
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What’s Methane?
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What ELSE is Methane???
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What ELSE is Methane???
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What ELSE is Methane???
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Truly “I Love You”
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Chemistry is REALLY Messy
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Vancomycin
Who will curate?
How would you clean such a large dataset?
3 days of effort with EBI
Assertions!!!
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Trust the AUTHORITY!
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Bonds ARE important!
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It’s Better to Have an Entire Molecule!
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Does Stereochemistry Matter??
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Yes, ONE stereocenter matters!!!
Thalidomide
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The EXPERTS must get it right?!
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Wikipedia? American Chemical Society? C&E News (from ACS)
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Online Chemistry
Online Chemistry is DIRTY Wikipedia “structures” are very good! A curation
team of many people working on then for 2 years Chemistry databases are polluted
Online Chemistry needs curating…
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Crowdsourced Curation
Use the wisdom of the crowd to curate chemistry!
www.chemspider.com 23.5 Million chemicals 300 Data Sources Open platform for deposition and curation