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The Global Chemistry Network
Driving Innovation
David James
Executive Director, Strategic Innovation
26th February 2014
THE PRESENT
OPEN INNOVATION
GOVERNMENT
• Data Capability Strategy 31st October 2013
• Build a UK open data capability
• Commercial and academic sector...
THE FUTURE
• Data/content will be open, discoverable and
shared
• Global collaboration far easier and more instant
• New s...
OUR VISION
A chemistry repository:
• Structures, spectra….
• Tools
• Models, methods and protocols
• Services
that increas...
GLOBAL CHEMISTRY NETWORK
Support the chemistry community in
research data management
Definitive network for chemical scien...
• An environment for data…..
- Deposition
- Validation
- Curation
• An environment for…..
- Micropublishing
- Collaboratio...
WHAT ARE WE BUILDING?
• Not just deposition – but micropublishing
- Micropublishing or deposition with recognition
- Struc...
RECOGNITION AND REWARD
New metrics (Altmetrics), no longer IF alone
– total contribution/impact
Impact
Usage
downloads
pag...
MICROPUBLISHING
“Micropublish” data and community-built models, algorithms,
simulations…… to support scientific investigat...
“INTELLIGENT CHEMISTRY”
• Small molecules
• Large molecules
• Surfaces and catalysis
• Materials
• Formulations
• Methodol...
SOFTWARE
DATA
SKILLS
Small
molecules
Large
molecules
Surfaces&
Catalysis
Modelling&
Computational
Methods
Materials
Formul...
National Chemical Database Service
So far….
Coming soon this year….
• Registration and deposition service for all types of
data – structures, reactions spectra…..
• D...
COMMUNITY
• ~50,000 members but a global network
of 350,000 chemical scientists
- Offices in Beijing, Shanghai, Philadelph...
COMMUNITY
COMMUNITY
and industry partnerships
• Open PHACTS - EU/Pharma industry pre-
competitive collaboration – semantic data
inte...
National Compound Collection
• Immediate engagement with the research
community
• Unlocking lost chemistry/micropublishing...
THE CHALLENGES
• Skills
• Sustainability
• Standards
• The interfaces: cross-discipline support
• Access to data: fragment...
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The Global Chemistry Network - driving innovation

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A presentation by Dr David James, Executive Director of Strategic Innovation at the Royal Society of Chemistry - given at the Open Science Showcase held by the Royal Society of Chemistry on 26 February 2014.

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Transcript of "The Global Chemistry Network - driving innovation"

  1. 1. The Global Chemistry Network Driving Innovation David James Executive Director, Strategic Innovation 26th February 2014
  2. 2. THE PRESENT OPEN INNOVATION
  3. 3. GOVERNMENT • Data Capability Strategy 31st October 2013 • Build a UK open data capability • Commercial and academic sectors • Provide support and increased collaboration • Driving innovation • Research Sector Transparency Board
  4. 4. THE FUTURE • Data/content will be open, discoverable and shared • Global collaboration far easier and more instant • New software tools will harvest and exploit data • Major new repositories of knowledge built • Openness driving innovation on an unprecedented scale – knowledge economy • A global phenomenon
  5. 5. OUR VISION A chemistry repository: • Structures, spectra…. • Tools • Models, methods and protocols • Services that increases the value and impact of research outputs
  6. 6. GLOBAL CHEMISTRY NETWORK Support the chemistry community in research data management Definitive network for chemical science information and research collaboration Repository of rich chemical information and data with supporting tools
  7. 7. • An environment for data….. - Deposition - Validation - Curation • An environment for….. - Micropublishing - Collaboration - Open innovation WHAT ARE WE BUILDING?
  8. 8. WHAT ARE WE BUILDING? • Not just deposition – but micropublishing - Micropublishing or deposition with recognition - Structures, reactions, spectra… and more – models protocols, simulations, algorithms, software…… • Integrated to chemistry blogging software and Electronic Laboratory Notebooks • Embargo management • Data objects “DOI’ed” for citation (altmetrics)
  9. 9. RECOGNITION AND REWARD New metrics (Altmetrics), no longer IF alone – total contribution/impact Impact Usage downloads page views Peer review expert opinion Citations Alt-metrics No. of links Citable ‘data objects’ Profile interactions Professional development
  10. 10. MICROPUBLISHING “Micropublish” data and community-built models, algorithms, simulations…… to support scientific investigation Ethyl 3-(1-pyrenyl)acrylate (3.02 g, 10.1 mmol) was firstly dissolved in ethyl acetate (70 ml). Ethanol (70 ml) and the 10% Pd/C (2 mol%) were then added to the mixture and the air evacuated out the system and replaced with hydrogen. The reaction was left to stir under a hydrogen balloon at room temperature for 29 hours. The reaction mixture was then filtered through a pad of celite with ethyl acetate a...
  11. 11. “INTELLIGENT CHEMISTRY” • Small molecules • Large molecules • Surfaces and catalysis • Materials • Formulations • Methodologies and processes • Modelling and computational methods
  12. 12. SOFTWARE DATA SKILLS Small molecules Large molecules Surfaces& Catalysis Modelling& Computational Methods Materials Formulations Methodologies &Processes
  13. 13. National Chemical Database Service
  14. 14. So far….
  15. 15. Coming soon this year…. • Registration and deposition service for all types of data – structures, reactions spectra….. • Development and launch of the Profile • Tools – for example, spectra searching • More communities engaged with the Global Chemistry Network • First look at models for sustainability (NCC)
  16. 16. COMMUNITY • ~50,000 members but a global network of 350,000 chemical scientists - Offices in Beijing, Shanghai, Philadelphia, Bangalore, Tokyo, Sao Paulo, Washington • Community initiatives/partnerships - NCDS, NCC, Dial-a-Molecule, OSDD…..
  17. 17. COMMUNITY
  18. 18. COMMUNITY and industry partnerships • Open PHACTS - EU/Pharma industry pre- competitive collaboration – semantic data integration chemistry/biology/pharmacology • PharmaSea - Deep sea natural products – novel compound characterisation • National Compound Collection
  19. 19. National Compound Collection • Immediate engagement with the research community • Unlocking lost chemistry/micropublishing • Working together with industry and the academic community towards sustainability in ‘data management’ • Open Innovation
  20. 20. THE CHALLENGES • Skills • Sustainability • Standards • The interfaces: cross-discipline support • Access to data: fragmentation of resources into institutional repositories • Need for “intelligent chemistry” • What’s in it for me?
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