Workshop: Advancing FAIR Chemistry - Developing New Services for Sharing Chemical Data

March 27, 2023. ACS Spring Meeting. Indianapolis. USA

Speakers and Presentations:

Flyer:

Available Here

Agenda:

Available Here

Recording:

Not available

Description: 

The goal of WorldFAIR* Chemistry is to support the use of chemical data standards in research workflows to enable downstream data reuse through practical direction and resources. The aim of this workshop was to engage the input and expertise of stakeholders across the chemistry community on prototype services and other IUPAC standards activities in progress. We presented early work on each of these resources and invited the community to share feedback on what will help them to implement these in your workflows - What works well? What needs further refinement? What is missing?  

WorldFAIR Chemistry prototype deliverables: 

• Guidance [1]: recommendations for managing and sharing FAIR chemical data for various stakeholders.
• Cookbook [2]: recipes (Cookbook) for preparing and depositing FAIR machine-enabled chemical data.
• Protocols [3]: universal protocol for browser-based validation and lookup services 

IUPAC standards projects:

• Doc-a-thon: Chemical representation best practices for humans and machines. This session focused on reviewing the existing IUPAC graphical representation standards for chemical structure diagrams and stereochemical representation with considerations for machine-readability. 
• IUPAC FAIRSpec-ready aggregations: Recommendations for researchers, authors, and publishers.  IUPAC is developing specifications for aggregating spectroscopy data and chemical structures for reporting spectroscopy measurements.  The resulting data collections can be created either manually by a researcher or automatically by an electronic laboratory notebook (ELN) or laboratory instrument management system (LIMS) and the accompanying metadata can also be used as a finding aid. 

*IUPAC is the world authority on chemical nomenclature, terminology, and standardized methods of measurement, and is engaging in a concerted effort through collaboration with the broader chemistry and data science communities to translate a range of assets and activities into the digital domain. 

**WorldFAIR Chemistry is one of several case studies in the global WorldFAIR initiative directed by CODATA and the Research Data Alliance to connect diverse activities across disciplines and geographies. 

***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.

Take out Points and Notes:

• Shared notes to be attached

[1] https://iupac.org/project/2022-027-1-024

[2] https://iupac.org/project/2022-028-1-024

[3] https://iupac.org/project/2022-029-1-024