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ChemSpider – A Combination Platform of FreeChemistry Database, Free Prediction Enginesand Crowdsourcing EnvironmentAntony ...
ChemSpider…. How many of you use ChemSpider already? ChemSpider…• Over 28 million compounds• Linked to 400 data sources•...
An Overview• How many of you are frequent users?• How many of you are total novices?• How many of you are librarians? Chem...
A Question : What’s your interest inPublic Compound DBs?• What public compound databases do you use?• What are you looking...
I want to know about “Vincristine”
Vincristine: Identifiers andProperties
Vincristine: Vendors and Sources
Vincristine: Patents
Vincristine: Articles
CURATION Search “Vitamin H”
“Curate” Identifiers
“Curate” Identifiers
“Curate” Identifiers
The InChI Identifier
Multiple Layers
InChIStrings Hash to InChIKeys
Vancomycin – Search the Internet
VancomycinSearch MolecularSKELETONSearch Full Molecule
ChemSpider Interface
ChemSpider SyntheticPages• ChemSpider SyntheticPages• An online resource for synthetic procedures fromusers. A community s...
ChemSpider SyntheticPages
ChemSpider Everywhere : Embed
ChemSpider Everywhere: Wikibox
ChemSpider Everywhere: Spectral Game
ChemSpider Mobile
Where to for ChemSpider?• More databases coming online monthly – weadd data daily! Looking for new collections• ChemSpider...
Thank youEmail: williamsa@rsc.orgTwitter: @ChemConnectorPersonal Blog: www.chemconnector.comSLIDES: www.slideshare.net/Ant...
ChemSpider – A Combination Platform of Free Chemistry Database, Free Prediction Engines and Crowdsourcing Environment
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ChemSpider – A Combination Platform of Free Chemistry Database, Free Prediction Engines and Crowdsourcing Environment

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ChemSpider is one of the premier online chemistry resources used by many tens of thousands of chemists around the world every day. Hosting almost 29 million unique chemical entities, sourced from over 400 separate data sources, ChemSpider provides access to experimental and predicted data, links to patents and publications and uniquely offers the ability to deposit and share their own data online. With the intention of integrating and curating public chemistry resources for the community ChemSpider encourages participation from chemists around the world.

Integrated to Wikipedia, Google Patents, Google Books, Google Scholar and many other key online resources ChemSpider provides access to chemistry data and information that can serve you well in your studies and in your research. This training session will provide a hands on experience of how to use ChemSpider and will discuss how to deposit your own data to build a public presence as a scientists should you wish. We will also provide an overview of our various other projects including ChemSpider SyntheticPages, a micropublishing environment for publishing synthetic procedures, and ChemSpider Reactions, a database of hundreds of thousands of free synthetic procedures.

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Transcript of "ChemSpider – A Combination Platform of Free Chemistry Database, Free Prediction Engines and Crowdsourcing Environment "

  1. 1. ChemSpider – A Combination Platform of FreeChemistry Database, Free Prediction Enginesand Crowdsourcing EnvironmentAntony WilliamsUniversity of Oregon, April 24th2013
  2. 2. ChemSpider…. How many of you use ChemSpider already? ChemSpider…• Over 28 million compounds• Linked to 400 data sources• Linked to patents, publications, data, spectra…• You’ll hear more….
  3. 3. An Overview• How many of you are frequent users?• How many of you are total novices?• How many of you are librarians? Chemists?Cheminformaticians?• What works well for you?• What doesn’t work well for you?• Your meeting. It will meander off targetaccording to your needs
  4. 4. A Question : What’s your interest inPublic Compound DBs?• What public compound databases do you use?• What are you looking to find?• What proprietary databases do you presently use?• What do you trust?• Why are for-fee databases not enough?• What issues do you have with free chemistrydatabases/resources online?• What would the ideal solution provide????
  5. 5. I want to know about “Vincristine”
  6. 6. Vincristine: Identifiers andProperties
  7. 7. Vincristine: Vendors and Sources
  8. 8. Vincristine: Patents
  9. 9. Vincristine: Articles
  10. 10. CURATION Search “Vitamin H”
  11. 11. “Curate” Identifiers
  12. 12. “Curate” Identifiers
  13. 13. “Curate” Identifiers
  14. 14. The InChI Identifier
  15. 15. Multiple Layers
  16. 16. InChIStrings Hash to InChIKeys
  17. 17. Vancomycin – Search the Internet
  18. 18. VancomycinSearch MolecularSKELETONSearch Full Molecule
  19. 19. ChemSpider Interface
  20. 20. ChemSpider SyntheticPages• ChemSpider SyntheticPages• An online resource for synthetic procedures fromusers. A community sourced database• Public peer-review and feedback for syntheticprocedures• New articles every week being deposited
  21. 21. ChemSpider SyntheticPages
  22. 22. ChemSpider Everywhere : Embed
  23. 23. ChemSpider Everywhere: Wikibox
  24. 24. ChemSpider Everywhere: Spectral Game
  25. 25. ChemSpider Mobile
  26. 26. Where to for ChemSpider?• More databases coming online monthly – weadd data daily! Looking for new collections• ChemSpider is limited to “defined chemicals”. Nosupport for: Polymers, Minerals, Markushstructures
  27. 27. Thank youEmail: williamsa@rsc.orgTwitter: @ChemConnectorPersonal Blog: www.chemconnector.comSLIDES: www.slideshare.net/AntonyWilliams
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