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ChemSpider, how a free community resource of data can support teaching NMR spectroscopy
A Pragmatic Vision ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
ChemSpider Searches
Search Cholesterol
Search Cholesterol
Linked to Content
Patents Linked
Articles Linked
NMR Spectroscopy on the Internet ,[object Object],[object Object],[object Object],[object Object],[object Object]
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]
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
Full C13 assignment uploaded
Deposit spectra against new structure ,[object Object]
Available Spectra  http://www.chemspider.com/spectra.aspx
Embedding Data
Embedding Structures
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
2DNMR Spectral Game
 
Not Just NMR Data
ChemSpider SyntheticPages
Invitations ,[object Object],[object Object],[object Object],[object Object]
NMRShiftDB
NMRShiftDB:  http://www.ebi.ac.uk/nmrshiftdb/
 
[object Object],[object Object],[object Object],[object Object]
NMR Prediction
Multinuclear NMR Prediction
NMRShiftDB Data Review ,[object Object],[object Object],[object Object]
ChemSpider Integrated NMR Prediction ,[object Object]
Acknowledgments ,[object Object],[object Object],[object Object],[object Object]
ChemSpider demos and training ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Thank you [email_address] Twitter: ChemSpiderman www.chemspider.com/blog SLIDES: www.slideshare.net/AntonyWilliams

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ChemSpider, how a free community resource of data can support teaching NMR spectroscopy