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

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Presentation on theme: "Linking Data and Publications: the Chemistry Way Simon Coles School of Chemistry, University of Southampton, U.K. CLADDIER workshop."— Presentation transcript:

1 Linking Data and Publications: the Chemistry Way Simon Coles School of Chemistry, University of Southampton, U.K. s.j.coles@soton.ac.uk CLADDIER workshop Chilworth, Southampton 15 th May 2007 This work is licensed under a Creative Commons Licence Attribution-ShareAlike 3.0 http://creativecommons.org/licenses/by-sa/3.0/

2 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

3 Current Situation - Data Deluge 30,000,000 2,000,000 450,000

4 Current Situation – Data and Publishing

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

6 The eCrystals Public Data Archive http://ecrystals.chem.soton.ac.uk

7 Laboratory IRs and Data Management

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

9 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

10 Metadata standards: Dublin Core About 15 core elements

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

12 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 http://dx.doi.org/10.1594/ecrystals.chem.soton.ac.uk/145 Rights & Citation http://ecrystals.chem.soton.ac.uk/rights.html http://ecrystals.chem.soton.ac.uk/rights.html Application Profile http://www.ukoln.ac.uk/projects/ebank-uk/schemas/ http://www.ukoln.ac.uk/projects/ebank-uk/schemas/

13 Aggregating Datasets CCDC CDS

14 Aggregating Datasets

15 Search and Discovery

16 http://www.rsc.org/Publishing/Jou rnals/ProjectProspect/index.asp Controlled Vocabulary and Semantics

17 Linking Data and Publications Link data and associated publications Dataset annotated with metadata Semantic publishing on WWW and in journals http://www.ukoln.ac.uk/projects/e bank-uk/pilot/

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

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