Linking Data and Publications: the Chemistry Way Simon Coles School of Chemistry, University of Southampton, U.K. CLADDIER workshop.

Slides:

Advertisements

Similar presentations

EPrints - Introducing EPrints 3 Software William J Nixon Digital Library Development Manager, University of Glasgow With many thanks to Les Carr and the.

Advertisements

IATUL Porto, May 21, 2006 DOI and e-Science Dr Anne E Trefethen Oxford e-Research Centre

AHM, Nottingham, September eBank UK : linking research data, scholarly communication and learning. Dr Liz Lyon, UKOLN, University of Bath Dr Simon.

Joint Information Systems Committee 4/16/2014 | | Slide 1 David De Roure Electronics and Computer Science University of Southampton e-Research the JISC.

S.J. Coles a*, M.B. Hursthouse a, R.A. Stephenson a, P. Cliff b, E. Lyon b, M. Patel b J. Downing c & P. Murray-Rust.

© S.J. Coles 2006 Usability WS, NeSC Jan 06 Enabling the reusability of scientific data: Experiences with designing an open access infrastructure for sharing.

Opening the Research Data Lifecycle Workshop Capturing and Sharing Research Data Simon Coles School of Chemistry, University of Southampton, U.K.

© S.J. Coles 2006 Digital Repositories as a Mechanism for the Capture, Management and Dissemination of Chemical Data Simon Coles School of Chemistry, University.

Data and Publication Discovery Brian Matthews, Information Management Group, STFC Rutherford Appleton Laboratory CLADDIER workshop, Chilworth, Southampton,

Chemistry research data in the modern age: A clear need for curation expertise Simon Coles School of Chemistry, University of Southampton, U.K.

S.J. Coles a*, J.G. Frey a, M.B. Hursthouse a, L. Carr b & C.J. Gutteridge b. a School of Chemistry, University of Southampton, UK.; b School of Electronics.

© S.J. Coles 2006 Digital Repositories as a Mechanism for the Capture, Management and Dissemination of Chemical Data Simon Coles School of Chemistry, University.

RCUK, Octiber Archiving research data and research publications. Dr Leslie Carr, Intelligence, Agents Multimedia, University of Southampton Dr Simon.

© S.J. Coles 2006 eCrystals: A Route for Open Access to Small Molecule Crystal Structure Data Simon Coles School of Chemistry, University of Southampton,

UKOLN is supported by: Enhanced support for eScience: the role of Digital Libraries Digital Libraries Go eScience, ECDL, Alicante September 2006 Rachel.

A centre of expertise in digital information management UKOLN is supported by: Digital libraries and digital scholarship: changing roles.

A centre of expertise in digital information management UKOLN is supported by: Adding Value to Data and Information: Moving towards a Science.

UKOLN is supported by: Realising the scholarly knowledge cycle: The experience of eBank UK Dr Liz Lyon, UKOLN, University of Bath, UK CNI Task Force Meeting.

UKOLN is supported by: From research data to new knowledge: a lifecycle approach. Dr Liz Lyon, Director UKOLN, University of Bath, UK JISC/SURF/CNI Conference.

Digital | Curation | Centre Adding value to open access research data: reflections on the process of data curation Dr Liz Lyon, DCC Associate Director.

A centre of expertise in digital information management UKOLN is supported by: Dealing with Data: Roles, Rights, Responsibilities & Relationships.

Integrating research data into the publication workflow: eBank UK experience Rachel Heery, UKOLN, University of Bath

UKOLN is supported by: e-Research: trends, requirements and challenges Dr Liz Lyon, UKOLN, University of Bath, UK Cross Research Council ICT Conference.

UKOLN is supported by: Digital Libraries and e-Research: new horizons, new challenges? Dr Liz Lyon, Director UKOLN, University of Bath, UK 8 th International.

UKOLN is supported by: Digital Libraries and e-Research: a UK perspective on a changing landscape. Dr Liz Lyon, Director UKOLN, University of Bath, UK.

UKOLN is supported by: eBank UK : linking research data, scholarly communications and learning. Dr Liz Lyon, UKOLN, University of Bath, UK JISC CNI Conference.

UKOLN is supported by: Data, information and knowledge repositories: developing infrastructure to support the e-Research landscape. Dr Liz Lyon, Director.

JISC Joint Programmes Meeting eBank UK : linking research data, learning and scholarly communications. Dr Liz Lyon, UKOLN, University of Bath Dr.

UKOLN is supported by: Digital Library developments supporting eResearch Dr Liz Lyon, Director UKOLN, University of Bath, UK British Library, November.

A centre of expertise in digital information management UKOLN is supported by: Digital repositories as research infrastructure: a UK perspective.

Digital | Curation | Centre An Introduction to the UK Digital Curation Centre Dr Liz Lyon, DCC Associate Director Outreach Director, UKOLN, University.

UKOLN is supported by: Adding value to open access research data: the eBank UK Project. Dr Liz Lyon, Director UKOLN, University of Bath, UK OAI4, CERN.

A centre of expertise in digital information management UKOLN is supported by: British Academy e-Resources Policy Review: UKOLN Report.

Digital | Curation | Centre UK Digital Curation Centre An Introduction Dr Liz Lyon, Associate Director Outreach IACMST MED Forum, November 2005 Funded.

UKOLN is supported by: Emergent technologies & digitisation: the institutional impact. Liz Lyon & Kevin Edge VCs Retreat, October a.

A centre of expertise in digital information management UKOLN is supported by: Data Informatics Top Ten : (for Libraries) Dr Liz Lyon,

A centre of expertise in data curation and preservation 2 nd International Digital Curation Conference, November 2006 Reflections on open scholarship:

Federation The eCrystals Federation Dr Simon Coles, University of Southampton, UK Dr Liz Lyon, UKOLN, University of Bath, UK Open Repositories 2008, University.

Federation eCrystals Federation: Open Repositories for Open Science Dr Liz Lyon, UKOLN, University of Bath, UK Dr Simon Coles, University of Southampton,

A centre of expertise in digital information management UKOLN is supported by: UK Perspectives on the Curation and Preservation of Scientific.

A centre of expertise in digital information management UKOLN is supported by: Changing Roles, Responsibilities and Relationships Dr Liz.

Federation eCrystals Federation: Open Repositories for Data-driven Science Dr Liz Lyon, UKOLN, University of Bath, UK Dr Simon Coles, University of Southampton,

UKOLN is supported by: Enhancing access to research data: the challenge of crystallography Rachel Heery, Monica Duke, Michael Day UKOLN, University of.

© S.J. Coles 2006 Institutional Data Repositories for Chemistry Simon Coles School of Chemistry, University of Southampton, U.K.

EBankII Workshop 1 Making Scientific Data Openly Available Simon Coles School of Chemistry, University of Southampton.

UKOLN is supported by: Developing e-Infrastructure to support new research and learning paradigms. Dr Liz Lyon, Director UKOLN, University of Bath, UK.

Digital | Curation | Centre Supporting Digital Curation to safeguard research data: adding value today and ensuring long-term access Dr Liz Lyon, DCC Associate.

EBank UK CCLRC Workshop February eBank and CCLRC Workshop February 2005 University of Bath.

Digital Repositories: interoperability & common services Closing Remarks Dr Liz Lyon, UKOLN, University of Bath, UK

The Discovery Landscape in Crystallography UKOLN is supported by: Monica Duke UKOLN, University of Bath, UK – eBank UK project A centre.

The Central Role of Data ‘Capturing and Sharing Chemistry Research Data’ Simon Coles School of Chemistry, University of Southampton, U.K.

University of Southampton, U.K.

EPrints Workshop, January eBank UK: Dissemination of research data using EPrints Simon Coles, School of Chemistry, University of Southampton.

© S.J. Coles 2005 ACS 2005, San Diego Furthering Chemoinformatics through ‘Crystalloinformatics’ Simon J. Coles EPSRC National Crystallography Service.

© S.J. Coles 2006 Data Management in the Chemistry Domain Simon Coles School of Chemistry, University of Southampton, U.K.

© S.J. Coles 2005 eChemInfo2005 Open Archives as a Route for Capture, Dissemination and Access to Chemical Data and Information Simon Coles School of Chemistry,

Programs and Research In the flow: from discovery to disclosure Lorcan Dempsey CIC March

11 Curation of Chemistry Data from the Laboratory to Publication Jeremy Frey & Simon Coles School of Chemistry University of Southampton Jeremy Frey &

UKOLN is supported by: Introduction to UKOLN Dr Liz Lyon, Director UKOLN, University of Bath, UK Grand Challenge Meeting, June a centre.

CombeDay Making Data Openly Available Simon Coles.

Metadata-based Discovery: Experience in Crystallography UKOLN is supported by: Monica Duke UKOLN, University of Bath, UK A centre of.

UKOLN is supported by: Library futures in the new research landscape. Dr Liz Lyon, UKOLN, University of Bath, UK CURL Members Meeting October 2004, London.

Joint Information Systems Committee Repositories Support Project Summer School 2008 Amber Thomas, JISC.

eCrystals Federation: Open Repositories for global Open Science

Realising the scholarly knowledge cycle:

eCrystals Federation: Open Repositories for Open Science

‘The eCrystals Federation’ Management and Publication of Small Molecule Structure Data for the Whole Crystallographic Community S.J. Colesa*, J.G. Freya,

JISC Joint Programmes Meeting 2005

Developing Institutional Data Repositories

eCrystals Federation: Open Repositories for global Open Science

Presentation transcript:

Linking Data and Publications: the Chemistry Way Simon Coles School of Chemistry, University of Southampton, U.K. CLADDIER workshop Chilworth, Southampton 15 th May 2007 This work is licensed under a Creative Commons Licence Attribution-ShareAlike 3.0

The Research Data Lifecycle Research & e-Science workflows Aggregator services: national, commercial Repositories : institutional, e-prints, subject, data, learning objects Data curation: databases & databanks Validation Harvesting metadata Data creation / capture / gathering: laboratory experiments, Grids, fieldwork, surveys, media Deposit / self- archiving Peer-reviewed publications: journals, conference proceedings Publication Validation Data analysis, transformation, mining, modelling Searching, harvesting, embedding Presentation services: subject, media-specific, data, commercial portals Resource discovery, linking, embedding Linking

Current Situation - Data Deluge 30,000,000 2,000, ,000

Current Situation – Data and Publishing

Separating Data from Interpretations Underlying data (Institutional data repository) Intellect & Interpretation (Journal article, report, etc)

The eCrystals Public Data Archive

Laboratory IRs and Data Management

The R4L Repository Deposit Search / Browse Create new compoundAdd experiment data and metadata

Aggregator services Institutional data repositories Deposit, Validation Publication Validation Data analysis Search, harvest Presentation services / portals Data discovery, linking, citation Laboratory repository Deposit eCrystals Federation Model Publishers: peer- review journals, conference proceedings, etc Curation Preservation Subject Repository Institution Library & Information Services Data creation & capture in Smart lab Data discovery, linking, citation Search, harvest Deposit

Metadata standards: Dublin Core About 15 core elements

Metadata Publication ecrystals.chem.soton.ac.ukecrystals.chem.soton.ac.uk/perl/oai2

Metadata Publication Using simple Dublin Core Crystal structure Title (Systematic IUPAC Name) Authors Affiliation Creation Date Additional chemical information through Qualified Dublin Core Empirical formula International Chemical Identifier (InChI) Compound Class & Keywords Specifies which datasets are present in an entry DOI Rights & Citation Application Profile

Aggregating Datasets CCDC CDS

Aggregating Datasets

Search and Discovery

rnals/ProjectProspect/index.asp Controlled Vocabulary and Semantics

Linking Data and Publications Link data and associated publications Dataset annotated with metadata Semantic publishing on WWW and in journals bank-uk/pilot/

The Future? Database Citation Services Literature Citation Services Controlled Vocabulary & Semantics