Linking Data and Publications: the Chemistry Way Simon Coles School of Chemistry, University of...
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Linking Data and Publications: the Chemistry Way Simon Coles School of Chemistry, University of Southampton, U.K. [email protected] 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/
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Transcript of Linking Data and Publications: the Chemistry Way Simon Coles School of Chemistry, University of...
Linking Data and Publications:
the Chemistry Way
Simon Coles
School of Chemistry,
University of Southampton, U.K.
CLADDIER workshop Chilworth, Southampton 15th May 2007
This work is licensed under a Creative Commons LicenceAttribution-ShareAlike 3.0
http://creativecommons.org/licenses/by-sa/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
Harvestingmetadata
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
Cl
Cl
Cl
Cl
Cl
Cl
ClCl Cl
Cl
Cl
ClCl
O
O
O
O
N
N
N
N
N+
O
O
O
N+
O
O
O
30,000,000
2,000,000
450,000
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
http://ecrystals.chem.soton.ac.uk
Laboratory IRs and Data Management
The R4L Repository
Deposit
Search / Browse
Create new compound Add experiment data and metadata
Aggregator services
Institutional data repositories
Deposit , Validation
Publication
ValidationData 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
Search, harvest
Deposit
Deposit
Deposit
Metadata standards: Dublin Core
About 15 core elements
Metadata Publication
ecrystals.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 http://dx.doi.org/10.1594/ecrystals.chem.soton.ac.uk/145
• Rights & Citation http://ecrystals.chem.soton.ac.uk/rights.html
• Application Profile http://www.ukoln.ac.uk/projects/ebank-uk/schemas/
Aggregating Datasets
CCDCCDS
Aggregating Datasets
Search and Discovery
http://www.rsc.org/Publishing/Journals/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
http://www.ukoln.ac.uk/projects/ebank-uk/pilot/
The Future?
Database Citation Services Literature Citation Services
Controlled Vocabulary & Semantics
