Developments in the Digital Chemistry Space: An Update

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06 Aug 2021
Group(s) submitting the application: 
Meeting objectives: 

As the move to open science and FAIR data accelerates, there are new activities in the chemical domain that are important to share with the RDA community.  This session will present many of these activities as a series of lightning talks, and each speaker will be asked to identify questions they have for attendees.  The hope is that this review of current activities will allow participants to identify common issues, alignments, and opportunities and receive input and feedback from other RDA groups.

Meeting agenda: 

Collaborative session notes:


The session will run in two parts:

  • 40 minutes of lightning talks describing current digital activities in chemistry
  • 40 minutes of discussion: Future Visioning for CRDIG, effectively and actively bridge
    between RDA and other activities in digital chemistry space going forward

Speakers from eight from different active projects will be invited to do lightning talks, for example:

  • NFDI4Chem (National Research Data Infrastructure Consortium Chemistry project, Germany)
  • PSDS (Physical Sciences Data science Service, UK)
  • IUPAC projects (International Union of Pure and Applied Chemistry)
    • InChI, SMILES+, Machine-Accessible Periodic Table, FAIRSpec, Gold Book
  • UK Catalysis Hub (Cardiff University, UK)
  • Four others to be invited


Target Audience: 

Members of the CRDIG and others interested in chemistry, RDA members interested in digital standards, ontologies, and data models

Group chair serving as contact person: 
Brief introduction describing the activities and scope of the group: 

The scope of this group is research data from chemistry and related disciplines.  Activities have included chemistry updates to the RDA community, discussion of specific topical issues such as vocabulary development, and presentation of chemistry services and tools.

Short Group Status: 

The Chemistry Research Data Interest Group (CRDIG) was formed in 2015 to allow developments around digital chemistry and cheminformatics to be informed about RDA related topics/outputs and to let the RDA community know what is going on in Chemistry.  The CRDIG has grown to 113 members since that time. The last two years has seen discipline level work shift towards more specific initiatives in the wider global arena. This session is an opportunity to provide the RDA community with updates on the many exciting fronts currently under development around FAIR and open data in the chemical sciences.

Type of Meeting: 
Informative meeting
Avoid conflict with the following group (2): 
Meeting presenters: 
Stuart Chalk, Leah McEwen, Ian Bruno plus invited speakers (see meeting agenda)