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Navigating scientific resources
   using wiki-based resources

 Antony Williams, Valery Tkachenko, Alexey Pshenichnov,
               Sean Ekins, Aileen Day and Martin Walker

                                          ACS New Orleans
                                       Sunday April 7th 2013
Show of Hands
• Does anyone here run a Wiki?
The Most Famous of Wikis
Show of Hands
•   Who has used Wikipedia in the past week?
•   Who has written an article on Wikipedia?
•   Who has found an error on Wikipedia?
•   Who has edited an article on Wikipedia?
Collaborative Authoring for Drug Discovery

• Pfizerpedia
So many Scientific Wikis…
Even Jimmy Wales cares…
What is a Wiki???
• “A wiki is a website which allows its users to
  add, modify, or delete its content via a web
  browser usually using a simplified markup
  language or a rich-text editor.”


     Technical Definition
It is so much more…
• A place to connect and collaborate
• A place for discussion and constructive conflict
• An EASY path to set-up an environment for you
  to engage the community
• And….
Not all MediaWiki!
“Collaborative Environments”
       …for anything!
http://en.wikibooks.or
g/wiki/Chemical_Infor
mation_Sources
Am I a poster boy?
Collaborative Knowledge Management
             for Chemists
ChemBoxes
DrugBoxes
January 9 2008
        th
Top 200 Drugs on Wikipedia
http://en.wikipedia.org/wiki/List_of_bestselling_drugs
Types of Errors Found
•   Structure drawing errors
•   Misassociation of names and structures
•   IUPAC Name Errors
•   Links out to databases were to wrong structures
•   Property errors/validation
•   CAS Number validation
CAS Discourages Using SciFinder
  for curating 3rd party databases
Chemical Abstracts Service (CAS) objects to
anyone encouraging the use of SciFinder® and
STN® to curate third-party databases or chemical
substance collections, including the one found in
Wikipedia. SciFinder and STN are provided to
researchers under formal license agreements,
under which the researchers agree to refrain from
using these tools to build databases.
Navigating scientific resources using wiki based resources
New announcement from CAS
• CAS, a division of the American Chemical
  Society, is pleased to announce that it will
  contribute to the Wikipedia project. CAS will
  work with Wikipedia to help provide accurate
  CAS Registry Numbers® for current substances
  listed in Wikiprojects-Chemicals section of the
  Wikipedia Chemistry Portal that are of
  widespread general public interest.
Beneficial Outcome…
Full up curating Wikipedia
         Chemistry
DrugBoxes
WikiBox Chemicals/ChemBox Validation
http://en.wikipedia.org/wiki/Wikipedia:WikiProject_Chemicals/Chembox_validation
Wikipedia on ChemSpider
Wikipedia Chemical Linkouts
ChemSpider Limitations
• We handles compounds where there are
  defined InChIs
• Poor handling of polymers, minerals, materials
• ChemSpider does not handle reactions
Wikipedia Polymers
Wikipedia Minerals
Named Reactions on Wikipedia
ChemSpider Development
• ChemSpider Reactions : working on rolling out
  a half million reactions to the community
• Will integrate ChemSpider SyntheticPages,
  Catalysts and Catalyzed Reactions and
  Methods of Organic Synthesis
• Developing support for materials – where
  InChIs are not available.
World without Wikipedia
Navigating scientific resources using wiki based resources
Scientists on Wikipedia
Sean Ekins
Challenging the Status Quo
       http://tinyurl.com/7e3l6rz
Scientists on Wikipedia
Where is your Wikipedia Page??
• The challenging notability criteria of Wikipedia
• But what about an environment to create your
  own Wiki page on a database that you manage




• Harvested Wikipedia scientists and set it up
www.ScientistsDB.com
www.ScientistsDB.com
www.ScientistsDB.com
Sandy Lawson
• Skolnik Symposium
ScientistsDB to Wikipedia?
www.SciDBs.com
www.SciMobileApps.com
What encourages participation?
• “Interested” parties contribute
• Marketing and self-promotion are primary
  reasons for participation
• There are very few “selfless” participants

• Relationships garner contributions…
www.SciMobileApps.com




• 8 contributors only…in 7 months
www.SciDBs.com




• 7 contributors only…in 6 months
www.ScientistsDB.com




 38 contributors …in 6 weeks
Learn Chemistry Wiki
– Last two years of secondary school to end of
  undergraduate
– Integrated to a small slice of ChemSpider
– Introduction of more educational “games”:
  Chemistry quizzes – e.g reactions
– Hosting training/educational resources
– Integrate to existing RSC websites
– An environment of participation. It’s a WIKI!
Navigating scientific resources using wiki based resources
ChemSpider is too much…
                    Simplified interface




                     …..to this
From this…..
Substance Pages
Quizzes: Fill in the Blank
Detailed Quizzes
Immediate Answers
Learn Spectroscopy using a Wiki
Submit Structures as Answers!
Lab Experiments
Wonderfully Detailed Procedures
Searching Wikipedia by Structure
• Presently preparing the Wikipedia chemical
  structure collection to donate to anybody who
  want to link to Wikipedia by chemical

• Coming Soon – Contact me directly…
Acknowledgments
• Wikipedia Chemistry Team: especially Walkerma,
  PhysChim62, Beetstra, Edgar181, MANY others
• RSC|eScience team –Aileen Day as technical lead
  on Learn Chemistry. Alexey Pshenichnov for
  SpectraSchool.
• Learn Chemistry Wiki: Martin Walker, Potsdam U
• Sean Ekins – ScientistsDB, SciMobileApps, SciDBs
• Alex Clark – SciMobileApps contributions
Video Online http://youtu.be/4vDeyean190




Thank you

Email: williamsa@rsc.org
Twitter: ChemConnector
Personal Blog: www.chemconnector.com
SLIDES: www.slideshare.net/AntonyWilliams

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Navigating scientific resources using wiki based resources

Editor's Notes

  • #55: However, current ChemSpider user interface is not student friendly. IT contains too much information which is irrelevant to school students. Martin’s first project is developing a simpler ‘student interface’ for less experienced users. Called a substance page, being developed in our wiki environment, contains only physical data and spectra plus some information imported from wikipedia. Also has the lewis version of the structure, important because students are not introduced to skeletal forms until the later stages of A-level