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 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

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 “Communitycontribution” best practice award”

ChemSpider wins I-Expo innovation award, Paris, France, June 2010

Thank you

antony.williams@chemspider.comTwitter: ChemSpidermanwww.chemspider.com/blogSLIDES: www.slideshare.net/AntonyWilliams