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.

1. The Global Chemistry Network
Driving Innovation
David James
Executive Director, Strategic Innovation
26th February 2014

2. THE PRESENT
OPEN INNOVATION

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

11. 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...

12. “INTELLIGENT CHEMISTRY”
• Small molecules
• Large molecules
• Surfaces and catalysis
• Materials
• Formulations
• Methodologies and processes
• Modelling and computational methods

13. SOFTWARE
DATA
SKILLS
Small
molecules
Large
molecules
Surfaces&
Catalysis
Modelling&
Computational
Methods
Materials
Formulations
Methodologies
&Processes

14. National Chemical Database Service

15. So far….

16. 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)

17. 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

19. 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

20. 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

21. 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?