ChemSpider Overview Presentation at Special Libraries Association

ChemSpider: Collecting and Curating the World’s Chemistry with the Community

What are Trustworthy Sources Online?

What is the modern online search?

What is Methane?

What ELSE is Methane???

Chemistry is Complex

Where is chemistry online?
Encyclopedic articles (Wikipedia)
Chemical company databases
Metabolic pathway databases
Property databases
Patents with chemical structures
Drug Discovery data
Scientific publications
Blogs/Wikis
Why not integrate it all?!

As few interfaces as possible
What do humans want?

A Pragmatic Vision
“ Build a Structure Centric Community”
Integrate chemical structure data on the web
Create a “structure-based hub” to information and data
Provide access to structure-based “algorithms”
Let chemists contribute their own data
Allow the community to curate/correct data

Resourcing structure-based info

ChemSpider Searches

What is Levulinic Acid?

Basic Info

External Links

External Links to Data

Patent Integration

Google Patent Integration

Access to Articles
RSC Journals
RSC Books
PubMed
Google Scholar
Google Books
Microsoft Academic Search

Articles Linked

The RSC Publishing Platform (Beta)

RSC Databases
Direct links into six Royal Society of Chemistry databases
Mass Spectrometry Bulletin
Laboratory Hazards Bulletin
Methods in Organic Synthesis
Catalysts and Catalyzed Reactions
Natural Product Updates
Analytical Abstracts

Access to Articles

Google Scholar

Experimental and Predicted Properties

Links from ChemSpider
Chemical suppliers
Other publications
Analytical Data
Related Reactions
Wikipedia
Patents
“ Everything”

Linked Data on the Web

How “Big” is ChemSpider?
Nearly 25 million compounds, >400 data sources
A crowdsourced deposition and curation platform
Grows daily – more depositions, more data
But now also a publishing platform for the community

Citizen Scientists Add and Validate

Crowd-sourcing Chemistry Curation
Crowd-sourced curation: identify errors, add and edit data in a “controlled environment”

Citizens as Data Sources

What do computers want? “Interfaces”
Web services
flickr.com/photos/microcosmos

ChemSpider Everywhere: ChemMobi

Mobile ChemSpider

ChemSpider Multimedia Content
The web is of course a multimedia host today
ChemSpider is a multimedia host for Chemistry
Images
MP3s
Videos
Chemistry data: spectra, crystal structures

Multimedia Content Holder

Periodic Table Images

CAS SciFinder

reaxys

Differences between ChemSpider, Reaxys and SciFinder
Everything on Reaxys and Scifinder is curated
The data resources can be over a 100 years old
The platforms are commercial and “read-only”
ChemSpider is free, to everyone
Data are in a state of ongoing curation & annotation
Data resources are from the “electronic era”
Data are expanded daily and enhanced on an ongoing basis
The platform delivers integrated algorithm access

Semantic Markup: Project Prospect

Semantic Linking of Publications
What would you want to link off a structure?
Chemical suppliers
Other publications
Analytical Data
Related Reactions
Wikipedia
Patents
“ Everything”

Chemistry on the Internet FUTURE
The “semantic web” for chemistry is in place
Crowdsourcing is commonplace
Chemists will search the web by “structure”
Chemistry articles indexed and searchable
Reduced number of searches to find data because data are integrated – compounds, vendors, syntheses, data, publications and patents
A world of Open Access and Open Data

Community Contribution
ChemSpider wins “Community
contribution” best practice award”
ChemSpider wins I-Expo innovation award, Paris, France, June 2010

Thank you [email_address] Twitter: ChemSpiderman www.chemspider.com/blog SLIDES: www.slideshare.net/AntonyWilliams

ChemSpider Overview Presentation at Special Libraries Association

by Antony Williams, ChemConnector

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