SlideShare a Scribd company logo
1 of 52
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

More Related Content

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

Publication of raw and curated NMR spectroscopic data for organic molecules
Publication of raw and curated NMR spectroscopic data for organic moleculesPublication of raw and curated NMR spectroscopic data for organic molecules
Publication of raw and curated NMR spectroscopic data for organic moleculesChristoph Steinbeck
 
Online Chemical Database with Modelling Environment
Online Chemical Database with Modelling EnvironmentOnline Chemical Database with Modelling Environment
Online Chemical Database with Modelling EnvironmentSSA KPI
 

Similar to ChemSpider, how a free community resource of data can support teaching NMR spectroscopy (20)

Teaching NMR spectroscopy using online resources from rsc
Teaching NMR spectroscopy using online resources from rscTeaching NMR spectroscopy using online resources from rsc
Teaching NMR spectroscopy using online resources from rsc
 
Chem Spider Building An Online Database Of Open Spectra
Chem Spider  Building An Online Database Of Open Spectra Chem Spider  Building An Online Database Of Open Spectra
Chem Spider Building An Online Database Of Open Spectra
 
Structure verification and elucidation using the ChemSpider database
Structure verification and elucidation using the ChemSpider databaseStructure verification and elucidation using the ChemSpider database
Structure verification and elucidation using the ChemSpider database
 
RSC ChemSpider as an environment for teaching and sharing chemistry
RSC ChemSpider as an environment for teaching and sharing chemistryRSC ChemSpider as an environment for teaching and sharing chemistry
RSC ChemSpider as an environment for teaching and sharing chemistry
 
Why Chemistry and the Web Will Benefit from a ChemSpider
Why Chemistry and the Web Will Benefit from a ChemSpiderWhy Chemistry and the Web Will Benefit from a ChemSpider
Why Chemistry and the Web Will Benefit from a ChemSpider
 
Utilizing ChemSpider As A Platform For Education And Exposure Of Student Data...
Utilizing ChemSpider As A Platform For Education And Exposure Of Student Data...Utilizing ChemSpider As A Platform For Education And Exposure Of Student Data...
Utilizing ChemSpider As A Platform For Education And Exposure Of Student Data...
 
Crawling Across the Web of Chemistry Using ChemSpider
Crawling Across the Web of Chemistry Using ChemSpider Crawling Across the Web of Chemistry Using ChemSpider
Crawling Across the Web of Chemistry Using ChemSpider
 
RSC ChemSpider -- Managing and Integrating Chemistry on the Internet to Build...
RSC ChemSpider -- Managing and Integrating Chemistry on the Internet to Build...RSC ChemSpider -- Managing and Integrating Chemistry on the Internet to Build...
RSC ChemSpider -- Managing and Integrating Chemistry on the Internet to Build...
 
Marrying ACDLabs technologies to eScience Projects at the Royal Society of C...
Marrying ACDLabs technologies to eScience Projects at the  Royal Society of C...Marrying ACDLabs technologies to eScience Projects at the  Royal Society of C...
Marrying ACDLabs technologies to eScience Projects at the Royal Society of C...
 
Chem spider introduction spring 2011
Chem spider introduction spring 2011Chem spider introduction spring 2011
Chem spider introduction spring 2011
 
ChemSpider Overview SLides August 2007
ChemSpider Overview SLides August 2007ChemSpider Overview SLides August 2007
ChemSpider Overview SLides August 2007
 
Publication of raw and curated NMR spectroscopic data for organic molecules
Publication of raw and curated NMR spectroscopic data for organic moleculesPublication of raw and curated NMR spectroscopic data for organic molecules
Publication of raw and curated NMR spectroscopic data for organic molecules
 
RSC ChemSpider is the online chemistry database where community contributions...
RSC ChemSpider is the online chemistry database where community contributions...RSC ChemSpider is the online chemistry database where community contributions...
RSC ChemSpider is the online chemistry database where community contributions...
 
How an Online Resource for Chemistry Can Change Our World
How an Online Resource for Chemistry Can Change Our WorldHow an Online Resource for Chemistry Can Change Our World
How an Online Resource for Chemistry Can Change Our World
 
Building an integrated system for chemistry markup and online publishing inte...
Building an integrated system for chemistry markup and online publishing inte...Building an integrated system for chemistry markup and online publishing inte...
Building an integrated system for chemistry markup and online publishing inte...
 
The Benefits to Chemical Vendors of Putting their data on ChemSpider
The Benefits to Chemical Vendors of Putting their data on ChemSpiderThe Benefits to Chemical Vendors of Putting their data on ChemSpider
The Benefits to Chemical Vendors of Putting their data on ChemSpider
 
The importance of standards for data exchange and interchange on the Royal So...
The importance of standards for data exchange and interchange on the Royal So...The importance of standards for data exchange and interchange on the Royal So...
The importance of standards for data exchange and interchange on the Royal So...
 
Using online chemistry databases to facilitate structure identification in ma...
Using online chemistry databases to facilitate structure identification in ma...Using online chemistry databases to facilitate structure identification in ma...
Using online chemistry databases to facilitate structure identification in ma...
 
Online Chemical Database with Modelling Environment
Online Chemical Database with Modelling EnvironmentOnline Chemical Database with Modelling Environment
Online Chemical Database with Modelling Environment
 
ChemSpider Presentation At University Of Toronto
ChemSpider Presentation At University Of TorontoChemSpider Presentation At University Of Toronto
ChemSpider Presentation At University Of Toronto
 

Recently uploaded

IAC 2024 - IA Fast Track to Search Focused AI Solutions
IAC 2024 - IA Fast Track to Search Focused AI SolutionsIAC 2024 - IA Fast Track to Search Focused AI Solutions
IAC 2024 - IA Fast Track to Search Focused AI SolutionsEnterprise Knowledge
 
Boost PC performance: How more available memory can improve productivity
Boost PC performance: How more available memory can improve productivityBoost PC performance: How more available memory can improve productivity
Boost PC performance: How more available memory can improve productivityPrincipled Technologies
 
The 7 Things I Know About Cyber Security After 25 Years | April 2024
The 7 Things I Know About Cyber Security After 25 Years | April 2024The 7 Things I Know About Cyber Security After 25 Years | April 2024
The 7 Things I Know About Cyber Security After 25 Years | April 2024Rafal Los
 
Raspberry Pi 5: Challenges and Solutions in Bringing up an OpenGL/Vulkan Driv...
Raspberry Pi 5: Challenges and Solutions in Bringing up an OpenGL/Vulkan Driv...Raspberry Pi 5: Challenges and Solutions in Bringing up an OpenGL/Vulkan Driv...
Raspberry Pi 5: Challenges and Solutions in Bringing up an OpenGL/Vulkan Driv...Igalia
 
How to Troubleshoot Apps for the Modern Connected Worker
How to Troubleshoot Apps for the Modern Connected WorkerHow to Troubleshoot Apps for the Modern Connected Worker
How to Troubleshoot Apps for the Modern Connected WorkerThousandEyes
 
Apidays Singapore 2024 - Building Digital Trust in a Digital Economy by Veron...
Apidays Singapore 2024 - Building Digital Trust in a Digital Economy by Veron...Apidays Singapore 2024 - Building Digital Trust in a Digital Economy by Veron...
Apidays Singapore 2024 - Building Digital Trust in a Digital Economy by Veron...apidays
 
GenCyber Cyber Security Day Presentation
GenCyber Cyber Security Day PresentationGenCyber Cyber Security Day Presentation
GenCyber Cyber Security Day PresentationMichael W. Hawkins
 
[2024]Digital Global Overview Report 2024 Meltwater.pdf
[2024]Digital Global Overview Report 2024 Meltwater.pdf[2024]Digital Global Overview Report 2024 Meltwater.pdf
[2024]Digital Global Overview Report 2024 Meltwater.pdfhans926745
 
Boost Fertility New Invention Ups Success Rates.pdf
Boost Fertility New Invention Ups Success Rates.pdfBoost Fertility New Invention Ups Success Rates.pdf
Boost Fertility New Invention Ups Success Rates.pdfsudhanshuwaghmare1
 
Breaking the Kubernetes Kill Chain: Host Path Mount
Breaking the Kubernetes Kill Chain: Host Path MountBreaking the Kubernetes Kill Chain: Host Path Mount
Breaking the Kubernetes Kill Chain: Host Path MountPuma Security, LLC
 
Exploring the Future Potential of AI-Enabled Smartphone Processors
Exploring the Future Potential of AI-Enabled Smartphone ProcessorsExploring the Future Potential of AI-Enabled Smartphone Processors
Exploring the Future Potential of AI-Enabled Smartphone Processorsdebabhi2
 
A Domino Admins Adventures (Engage 2024)
A Domino Admins Adventures (Engage 2024)A Domino Admins Adventures (Engage 2024)
A Domino Admins Adventures (Engage 2024)Gabriella Davis
 
08448380779 Call Girls In Greater Kailash - I Women Seeking Men
08448380779 Call Girls In Greater Kailash - I Women Seeking Men08448380779 Call Girls In Greater Kailash - I Women Seeking Men
08448380779 Call Girls In Greater Kailash - I Women Seeking MenDelhi Call girls
 
A Year of the Servo Reboot: Where Are We Now?
A Year of the Servo Reboot: Where Are We Now?A Year of the Servo Reboot: Where Are We Now?
A Year of the Servo Reboot: Where Are We Now?Igalia
 
Automating Google Workspace (GWS) & more with Apps Script
Automating Google Workspace (GWS) & more with Apps ScriptAutomating Google Workspace (GWS) & more with Apps Script
Automating Google Workspace (GWS) & more with Apps Scriptwesley chun
 
CNv6 Instructor Chapter 6 Quality of Service
CNv6 Instructor Chapter 6 Quality of ServiceCNv6 Instructor Chapter 6 Quality of Service
CNv6 Instructor Chapter 6 Quality of Servicegiselly40
 
Slack Application Development 101 Slides
Slack Application Development 101 SlidesSlack Application Development 101 Slides
Slack Application Development 101 Slidespraypatel2
 
08448380779 Call Girls In Friends Colony Women Seeking Men
08448380779 Call Girls In Friends Colony Women Seeking Men08448380779 Call Girls In Friends Colony Women Seeking Men
08448380779 Call Girls In Friends Colony Women Seeking MenDelhi Call girls
 
How to convert PDF to text with Nanonets
How to convert PDF to text with NanonetsHow to convert PDF to text with Nanonets
How to convert PDF to text with Nanonetsnaman860154
 
What Are The Drone Anti-jamming Systems Technology?
What Are The Drone Anti-jamming Systems Technology?What Are The Drone Anti-jamming Systems Technology?
What Are The Drone Anti-jamming Systems Technology?Antenna Manufacturer Coco
 

Recently uploaded (20)

IAC 2024 - IA Fast Track to Search Focused AI Solutions
IAC 2024 - IA Fast Track to Search Focused AI SolutionsIAC 2024 - IA Fast Track to Search Focused AI Solutions
IAC 2024 - IA Fast Track to Search Focused AI Solutions
 
Boost PC performance: How more available memory can improve productivity
Boost PC performance: How more available memory can improve productivityBoost PC performance: How more available memory can improve productivity
Boost PC performance: How more available memory can improve productivity
 
The 7 Things I Know About Cyber Security After 25 Years | April 2024
The 7 Things I Know About Cyber Security After 25 Years | April 2024The 7 Things I Know About Cyber Security After 25 Years | April 2024
The 7 Things I Know About Cyber Security After 25 Years | April 2024
 
Raspberry Pi 5: Challenges and Solutions in Bringing up an OpenGL/Vulkan Driv...
Raspberry Pi 5: Challenges and Solutions in Bringing up an OpenGL/Vulkan Driv...Raspberry Pi 5: Challenges and Solutions in Bringing up an OpenGL/Vulkan Driv...
Raspberry Pi 5: Challenges and Solutions in Bringing up an OpenGL/Vulkan Driv...
 
How to Troubleshoot Apps for the Modern Connected Worker
How to Troubleshoot Apps for the Modern Connected WorkerHow to Troubleshoot Apps for the Modern Connected Worker
How to Troubleshoot Apps for the Modern Connected Worker
 
Apidays Singapore 2024 - Building Digital Trust in a Digital Economy by Veron...
Apidays Singapore 2024 - Building Digital Trust in a Digital Economy by Veron...Apidays Singapore 2024 - Building Digital Trust in a Digital Economy by Veron...
Apidays Singapore 2024 - Building Digital Trust in a Digital Economy by Veron...
 
GenCyber Cyber Security Day Presentation
GenCyber Cyber Security Day PresentationGenCyber Cyber Security Day Presentation
GenCyber Cyber Security Day Presentation
 
[2024]Digital Global Overview Report 2024 Meltwater.pdf
[2024]Digital Global Overview Report 2024 Meltwater.pdf[2024]Digital Global Overview Report 2024 Meltwater.pdf
[2024]Digital Global Overview Report 2024 Meltwater.pdf
 
Boost Fertility New Invention Ups Success Rates.pdf
Boost Fertility New Invention Ups Success Rates.pdfBoost Fertility New Invention Ups Success Rates.pdf
Boost Fertility New Invention Ups Success Rates.pdf
 
Breaking the Kubernetes Kill Chain: Host Path Mount
Breaking the Kubernetes Kill Chain: Host Path MountBreaking the Kubernetes Kill Chain: Host Path Mount
Breaking the Kubernetes Kill Chain: Host Path Mount
 
Exploring the Future Potential of AI-Enabled Smartphone Processors
Exploring the Future Potential of AI-Enabled Smartphone ProcessorsExploring the Future Potential of AI-Enabled Smartphone Processors
Exploring the Future Potential of AI-Enabled Smartphone Processors
 
A Domino Admins Adventures (Engage 2024)
A Domino Admins Adventures (Engage 2024)A Domino Admins Adventures (Engage 2024)
A Domino Admins Adventures (Engage 2024)
 
08448380779 Call Girls In Greater Kailash - I Women Seeking Men
08448380779 Call Girls In Greater Kailash - I Women Seeking Men08448380779 Call Girls In Greater Kailash - I Women Seeking Men
08448380779 Call Girls In Greater Kailash - I Women Seeking Men
 
A Year of the Servo Reboot: Where Are We Now?
A Year of the Servo Reboot: Where Are We Now?A Year of the Servo Reboot: Where Are We Now?
A Year of the Servo Reboot: Where Are We Now?
 
Automating Google Workspace (GWS) & more with Apps Script
Automating Google Workspace (GWS) & more with Apps ScriptAutomating Google Workspace (GWS) & more with Apps Script
Automating Google Workspace (GWS) & more with Apps Script
 
CNv6 Instructor Chapter 6 Quality of Service
CNv6 Instructor Chapter 6 Quality of ServiceCNv6 Instructor Chapter 6 Quality of Service
CNv6 Instructor Chapter 6 Quality of Service
 
Slack Application Development 101 Slides
Slack Application Development 101 SlidesSlack Application Development 101 Slides
Slack Application Development 101 Slides
 
08448380779 Call Girls In Friends Colony Women Seeking Men
08448380779 Call Girls In Friends Colony Women Seeking Men08448380779 Call Girls In Friends Colony Women Seeking Men
08448380779 Call Girls In Friends Colony Women Seeking Men
 
How to convert PDF to text with Nanonets
How to convert PDF to text with NanonetsHow to convert PDF to text with Nanonets
How to convert PDF to text with Nanonets
 
What Are The Drone Anti-jamming Systems Technology?
What Are The Drone Anti-jamming Systems Technology?What Are The Drone Anti-jamming Systems Technology?
What Are The Drone Anti-jamming Systems Technology?
 

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