WorldFAIR+: Making data work for cross-domain grand challenges
A CODATA workshop as part of the ISC General Assembly, Muscat, Oman
SciDataCon 2025, part of International Data Week:
Call open for sessions and papers!
Programme
Making data work for cross-domain grand challenges: WorldFAIR+
Simon Hodson, CODATA Executive Director
Image CC-BY-SA by SangyaPundir
(Wilkinson, M., et al., The FAIR Guiding Principles for scientific data management and stewardship, Scientific Data, http://dx.doi.org/10.1038/sdata.2016.18)
FAIR Principles
Wilkinson, Mons, et al., The FAIR Guiding Principles for scientific data management and stewardship, Scientific Data, http://dx.doi.org/10.1038/sdata.2016.18
Barend Mons and Mercè Crosas, past and current CODATA Presidents, both authors of the FAIR Principles.
Turning FAIR Into Reality: Final Report and Action Plan from the European Commission Expert Group on FAIR Data, 2018, Hodson (chair of working group/lead author), et al., https://doi.org/10.2777/1524
Making Data Work – WorldFAIR – WorldFAIR+
Making Data Work
(2018-2022)
WorldFAIR
(2022-2024)
WorldFAIR+
(2024+)
Making Data Work for Cross-Domain Grand Challenges
WorldFAIR: Global cooperation on FAIR data policy and practice
WorldFAIR Partners
WorldFAIR Case Studies
What is the CDIF (Cross-Domain Interoperability Framework)?
What is CDIF?
CDIF, the Cross-Domain Interoperability Framework
Feedback received from a colleague at a national data infrastructure
“I have a long reading list that I’m working through and initially wasn’t too excited to be sitting down to read another technical report, and a massive one at that, but as I started reading, it was like it stopped me in my tracks to ask “Is it your job to try to work out the design of metadata for a cross-domain repository and would you like us to tell you how you might do that in the best, most FAIR way?” to which I had to reply “Yes, yes that’s exactly what I’m trying to do…”. This will make a real difference to guide and frame what we’re doing and save me much time by recommending best practices and summarising choices that we would be making along the way. It gives us an achievable first scope for our metadata but will allow us to grow this over time as CDIF develops beyond version 1. We were reassured by how well it aligns well with what we were thinking of doing — we had independently already decided to start at the top-level with a SKOS vocabulary and DCAT catalogue description. As such, we intend to use your report as a starting point for how to implement this and build it up as far as it fits with our project plan.”
CDIF, Next Steps
WorldFAIR+, CDIF Implementation Projects
WorldFAIR+, CDIF Implementation Projects
Outputs
WorldFAIR+, CDIF Implementation Projects
WorldFAIR+, CDIF Implementation Projects
Uplifting FAIR and CARE: CODATA WorldFAIR Policy and Technical Recommendations promoted by ARDC
Discussion:
What are the interdisciplinary challenges in your discipline / country?
Chemistry and WorldFAIR+: IUPAC making the central science available to other disciplines
Professor Richard Hartshorn
School of Physical and Chemical Sciences
University of Canterbury, Christchurch, New Zealand
FAIR attributes | Functionality | Chemical notations (examples) |
Findable �metadata schema | Indexing, matching | InChI, nomenclature |
Searching | Chemical notations (e.g., SMILES), �terms (e.g., properties, methods) | |
Accessible retrieval protocols | Searching, retrieving (APIs) �(consistent across systems) | Chemical structure resolver �(API spec prototype in WFC) |
Interoperable knowledge representations, vocabularies, �metadata references | File formats for chemical entities and experimental measurements | SDF, CIF, ThermoML, JCAMP-DX, mzML |
Referrable terms and definitions | Gold Book, VIM, MeSH | |
Classification, modeling | CHMO, RXNO, ChEBI, FAIRSpec | |
Reusable validation services | Completeness, consistency | checkCIF |
Adapted from
FAIR-enabling chemistry data standards/tools
ADVANCING CHEMISTRY WORLDWIDE
Adapted from
FAIR-enabling chemistry data standards/tools
InChI - the International Chemical Identifier
ADVANCING CHEMISTRY WORLDWIDE
Adapted from
FAIR-enabling chemistry data standards/tools
InChI
InChIKey
Smiles string
Global Resolver - a web service interface to manage this process
Databases
Chemical Structure
Properties/Data
ADVANCING CHEMISTRY WORLDWIDE
Adapted from
FAIR-enabling chemistry data standards/tools
Crystallography leading the way
ADVANCING CHEMISTRY WORLDWIDE
Adapted from
FAIR-enabling chemistry data standards/tools
The CIF Standard and CheckCIF
ADVANCING CHEMISTRY WORLDWIDE
Adapted from
Structure Validator
Machine readability…
ADVANCING CHEMISTRY WORLDWIDE
Adapted from
Structure Validator
Machine readability…
Interpretation of Standard Formats may differ
ADVANCING CHEMISTRY WORLDWIDE
Adapted from
Structure Validator
Machine readability…
Interpretation of Standard Formats may differ
Does an automatically generated structure match mine?
ADVANCING CHEMISTRY WORLDWIDE
Adapted from
Structure Validator
Machine readability…
Interpretation of Standard Formats may differ
Does an automatically generated structure match mine?
How do we validate chemical structures?
ADVANCING CHEMISTRY WORLDWIDE
Envisioning IUPAC at the World’s FAIR hub
iupac.org/what-we-do/digital-standards
Practical Resources (in progress) | Descriptions | WorldFAIR inputs |
Cheminformatics Color Book |
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Global Chemical Representation Resolver |
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IUPAC FAIR Chemistry Cookbook |
|
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IUPAC Gold Book Compendium |
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Chemistry Data Standards Map |
|
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Digital Units & Quantity Converter |
|
|
ADVANCING CHEMISTRY WORLDWIDE
Envisioning IUPAC at the World’s FAIR hub
iupac.org/what-we-do/digital-standards
ADVANCING CHEMISTRY WORLDWIDE
Acknowledgements
WorldFAIR “Global cooperation on FAIR data policy and practice” is funded by the EC HORIZON-WIDERA-2021-ERA-01-41 Coordination and Support Action under Grant Agreement No. 101058393.
iupac.org/what-we-do/digital-standards
Dr Rajika Munasinghe
InChI Trust
Leah McEwen
A legion of volunteers…
ADVANCING CHEMISTRY WORLDWIDE
WP6 – Social Surveys
Steve McEachern
Director, UK Data Service, University of Essex
And Visitor, Australian Data Archive, Australian National University
What we are doing
Data Harmonisation
Three broad approaches:
Harmonisation and Metadata standards
Survey data elements
The cross-cultural survey harmonisation workflow
Case study:
International Social Survey Program (https://issp.org)
1. Importing
2. Harmonisation of concepts
Pilot Colectica registry
3. Harmonise variable names
4. Harmonise variable codes and categories (labels)
5. Data type harmonisation
6. Documentation of harmonisation
Example of automated documentation
Summarising the process
Recommendations
Pilot Science Mission
Citizen-Driven Living Labs for Urban Heat Island Mitigation; a women-led transdisciplinary approach for health, equity and sustainability
Dr. Shaily Gandhi
Senior Post-Doctoral Researcher
Geosocial AI Research Group
Interdisciplinary Transformation University
Austria
Addressing transdisciplinary approach for tackling urban heat as a science mission
Source: Awan, W. Z. (2022). Differentiation between interdisciplinary and transdisciplinary concepts. IMAQ Press. https://imaqpress.com/2678/differentiation-between-interdisciplinary-and-transdisciplinary-concepts/ Google Scholar
Intersection with multiple SDGs
Capacities of the consortium
Community led implementation model:
Vision for impact
Sustainable Solution Approach
Our consortium brings together the following disciplines
Methods
Multi-modal Datasets
Next Steps…
WP | Activity | Q1 | Q2 | Q3 | Q4 | Q5 | Q6 |
1 | Project Initiation and Coordination | | | | | | |
2 | Community Engagement and Data Collection | | | | | | |
3 | Multi-Modal Data Analysis of the Urban Heat Island Effect | | | | | | |
4 | Piloting the mitigation and adaptive strategies | | | | | | |
5 | Policy Engagement and Advocacy | | | | | | |
6 | Capacity Building and Knowledge Sharing | | | | | | |
7 | Monitoring, Evaluation, and Learning | | | | | | |
Discussion:
How to get involved with WorldFAIR+?
WorldFAIR+
Vision:
Potential Case Studies and partnerships:
WorldFAIR+ how to get involved?