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.

1. ChemSpider – A Combination Platform of Free
Chemistry Database, Free Prediction Engines
and Crowdsourcing Environment
Antony Williams
University of Oregon, April 24th
2013

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. 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 target
according to your needs

4. A Question : What’s your interest in
Public 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 chemistry
databases/resources online?
• What would the ideal solution provide????

5. I want to know about “Vincristine”

6. Vincristine: Identifiers and
Properties

7. Vincristine: Vendors and Sources

8. Vincristine: Patents

9. Vincristine: Articles

10. CURATION Search “Vitamin H”

11. “Curate” Identifiers

12. “Curate” Identifiers

13. “Curate” Identifiers

14. The InChI Identifier

15. Multiple Layers

16. InChIStrings Hash to InChIKeys

17. Vancomycin – Search the Internet

18. Vancomycin
Search Molecular
SKELETON
Search Full Molecule

19. ChemSpider Interface

21. ChemSpider SyntheticPages
• ChemSpider SyntheticPages
• An online resource for synthetic procedures from
users. A community sourced database
• Public peer-review and feedback for synthetic
procedures
• New articles every week being deposited

22. ChemSpider SyntheticPages

23. ChemSpider Everywhere : Embed

24. ChemSpider Everywhere: Wikibox

25. ChemSpider Everywhere: Spectral Game

26. ChemSpider Mobile

27. Where to for ChemSpider?
• More databases coming online monthly – we
add data daily! Looking for new collections
• ChemSpider is limited to “defined chemicals”. No
support for: Polymers, Minerals, Markush
structures

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