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Crowdsourcing, Collaborations and Text-Mining in a  World of Open Chemistry  Antony Williams
The Language of Chemistry ,[object Object]
And its dialects….
From Yesterday ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Question Everything www.dhmo.org
PubChem
Quality is a Major Issue- Search Butanol
Caution! Question Everything!
The FDA’s DailyMed
Quality of Structures!!!
Quality of Structures ,[object Object]
Collaborative  Knowledge Management  for Chemists
Drugbank
Taxol on PubChem
Daily Med
The InChI Identifier
Multiple Layers ,[object Object]
InChIStrings Hash to InChIKeys
InChIs for Taxol
Back to Taxol ,[object Object],[object Object],[object Object],[object Object]
InChIKeys for Taxol ,[object Object],[object Object],[object Object],[object Object],[object Object]
Does one stereocenter matter?
Does one stereocenter matter? ,[object Object]
Does one stereocenter matter? ,[object Object]
Too Much Variability in InChIs ,[object Object]
NEW: Resolve Variability with StdInChI StdInChI
Assertion and  Chemical Entities ,[object Object],[object Object],[object Object],[object Object]
Wikipedia Chemistry Curation project ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
 
Stereoisomers
Content is King and  Quality  Costs ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
www.chemspider.com ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
ChemSpider Data ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Example Search 1 ,[object Object],[object Object],[object Object],[object Object],[object Object]
Example Search 1
Example Search 1
Complex Search
Wikipedia via  ChemSpider …
Searching and Reading Articles… ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Publishers should adopt/add InChIs RSC and Nature Publishing Group have!
 
Document Mark-up and Linking
Structure Searching
Species..
[object Object],[object Object],[object Object],[object Object]
The InChI Resolver
The InChI “Resolver”
The InChI “Resolver”
Google Searches on InChI – String limit
InChIKey Searches Work
InChIs are incomplete ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Crowdsourcing for Curation ,[object Object],[object Object],[object Object],[object Object]
Post Comments ,[object Object]
Conclusions ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Blogs and Contacts ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

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Crowdsourcing, Collaborations and Text-Mining in a World of Open Chemistry