the global chemistry network - driving innovation
DESCRIPTION
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.TRANSCRIPT
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The Global Chemistry Network Driving Innovation
David James Executive Director, Strategic Innovation 26th February 2014
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THE PRESENT
OPEN INNOVATION
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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
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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
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OUR VISION A chemistry repository:
• Structures, spectra…. • Tools • Models, methods and protocols • Services
that increases the value and impact of research outputs
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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
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• An environment for data….. - Deposition
- Validation
- Curation • An environment for…..
- Micropublishing - Collaboration - Open innovation
WHAT ARE WE BUILDING?
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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)
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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
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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...
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“INTELLIGENT CHEMISTRY” • Small molecules
• Large molecules
• Surfaces and catalysis
• Materials
• Formulations
• Methodologies and processes
• Modelling and computational methods
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SOFTWARE
DATA
SKILLS
Smal
l m
olec
ules
Larg
e m
olec
ules
Surf
aces
&
Cata
lysi
s
Mod
ellin
g &
Co
mpu
tatio
nal
Met
hods
Mat
eria
ls
Form
ulat
ions
Met
hodo
logi
es
& P
roce
sses
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National Chemical Database Service
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So far….
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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)
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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…..
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COMMUNITY
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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
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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
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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?