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The Global Chemistry Network - driving innovation
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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 …

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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  • 1. The Global Chemistry Network Driving Innovation David James Executive Director, Strategic Innovation 26th February 2014
  • 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. 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. OUR VISION A chemistry repository: • Structures, spectra…. • Tools • Models, methods and protocols • Services that increases the value and impact of research outputs
  • 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. • An environment for data….. - Deposition - Validation - Curation • An environment for….. - Micropublishing - Collaboration - Open innovation WHAT ARE WE BUILDING?
  • 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. 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. 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. “INTELLIGENT CHEMISTRY” • Small molecules • Large molecules • Surfaces and catalysis • Materials • Formulations • Methodologies and processes • Modelling and computational methods
  • 12. SOFTWARE DATA SKILLS Small molecules Large molecules Surfaces& Catalysis Modelling& Computational Methods Materials Formulations Methodologies &Processes
  • 13. National Chemical Database Service
  • 14. So far….
  • 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. 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…..
  • 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. 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. 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?