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Building a Community Resource of Open Spectral Data
If there were an online DB of spectra.. ,[object Object],[object Object],[object Object],[object Object],[object Object]
Where is chemistry online? ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
And where are spectra online?
And where are spectra online?
And where are spectra online?
And where are spectra online?
And where are spectra online?
What’s in the way of “Open Spectra” ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
A Pragmatic Vision ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
We Answer Questions for  Chemists ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
www.chemspider.com
Search for a Chemical…by name
Available Information… ,[object Object]
Available Information….
ChemSpider Today ,[object Object],[object Object],[object Object],[object Object],[object Object]
ChemSpider : Spectra Linked
ChemSpider: Spectra Linked
Spectra Linked
Spectra Linked
Spectra on ChemSpider
Sources of Spectra ,[object Object],[object Object],[object Object]
Spectral Uploading ,[object Object]
Spectral Uploading ,[object Object]
Spectral formats supported ,[object Object],[object Object],[object Object]
Multiple Spectra for One Structure
ChemSpider ID 24528095 H1 NMR
ChemSpider ID 24528095 C13 NMR
ChemSpider ID 24528095 HHCOSY
ChemSpider ID 24528095 HSQC
ChemSpider ID 24528095 HMBC
Deposit spectra against new structure ,[object Object]
Available Spectra  http://www.chemspider.com/spectra.aspx
Embedding Data
Web Services
www.SpectralGame.com http://www.jcheminf.com/content/1/1/9
Spectral Game
Increasing Complexity
Spectral Game
Data Curation
Reversed Spectrum
Download, reprocess, redeposit
True Curation of Data
Building Other Spectral Games! ,[object Object],[object Object],[object Object],[object Object],[object Object]
Invitations ,[object Object],[object Object],[object Object]
Thank you Email: williamsa@rsc.org  Twitter: ChemConnector Blog: www.chemspider.com/blog Personal Blog: www.chemconnector.com SLIDES: www.slideshare.net/AntonyWilliams

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Building a Community Resource of Open Spectral Data