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 sectors

• Provide support and increased collaboration

• Driving innovation

• Research Sector Transparency Board

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

OUR VISION A chemistry repository:

• Structures, spectra…. • Tools • Models, methods and protocols • Services

that increases the value and impact of research outputs

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

• An environment for data….. - Deposition

- Validation

- Curation • An environment for…..

- Micropublishing - Collaboration - Open innovation

WHAT ARE WE BUILDING?

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)

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

MICROPUBLISHING

“Micropublish” data and community-built models, algorithms, simulations…… to support scientific investigation

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“INTELLIGENT CHEMISTRY” • Small molecules

• Large molecules

• Surfaces and catalysis

• Materials

• Formulations

• Methodologies and processes

• Modelling and computational methods

SOFTWARE

DATA

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National Chemical Database Service

So far….

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)

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…..

COMMUNITY

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

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

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?