Published Versions 2
Download
Taking FAIR on the ChIN: The Chemistry Implementation Network
104 3 0
Abstract & Keywords
Abstract: The Chemistry Implementation Network (ChIN) is focused on supporting the FAIR Data needs of the research community regarding chemical related data. An Implementation Network is a consortium drawn from a community, in this case the chemistry discipline, committed to defining and constructing standards, materials and software in the spirit of the FAIR data principles and under the structure of the GO FAIR project. Furthermore, as a core science the ChIN has to reach beyond the chemistry community and support the use of chemical information in other disciplines. This will be facilitated through connections in the GO FAIR ecosystem of Implementation Networks. Examples of the FAIR chemical concepts that need to be supported include molecular and materials structures, chemical reactions, nomenclature and other chemical terminology and conventions. The ChIN aims to drive forward the application of the FAIR Data Principles relating to the full range of chemistry concepts that are key to the transparent and efficient communication of chemical information. Realizing the goal of FAIR chemistry data will require a culture change across the discipline. However this is best addressed once a critical mass of tools and approaches has been developed.
Keywords: Chemistry; Chemical information; Chemistry data; Chemical data standards; Infrastructure; Nomenclature; Molecular structure; Materials structure; Chemical reactions; Education; Community engagement; Endorsement and governance
Acknowledgments
[1]
GO FAIR Implementation Networks. Available at: https://www.go-fair.org/implementation-networks/.
[2]
The GO FAIR Chemistry Implementation Network. Available at: https://www.go-fair.org/implementation-networks/overview/chemistryin/.
[3]
GO BUILD: FAIR technology. Available at: https://www.go-fair.org/go-fair-initiative/go-build/.
[4]
GO CHANGE: Priorities, policies and incentives for implementing FAIR. Available at: https://www.go-fair.org/go-fair-initiative/go-train/.
[5]
GO TRAIN: FAIR awareness and skills development training. Available at: https://www.go-fair.org/go-fair-initiative/go-train/.
[6]
The International Union of Pure and Applied Chemistry. Available at: https://iupac.org/.
[7]
IUPAC Committee on Publications and Cheminformatics Data Standards. Available at: https://iupac.org/who-we-are/committees/committee-details/?body_code=024.
[8]
The Chemistry Research Data Interest Group. Available at: https://sites.google.com/view/digchem/.
[9]
The Research Data Alliance. Available at: https://rd-alliance.org/.
[10]
The American Chemical Society Division of Chemical Information. Available at: www.acscinf.org.
[11]
The Royal Society of Chemistry Chemical Information and in Computer Applications Group. Available at: https://www.rsc.org/Membership/Networking/InterestGroups/CICAG/.
[12]
International Data Week. Available at: http://www.internationaldataweek.org/.
[13]
Future RDA plenary meetings. Available at: https://rd-alliance.org/plenaries.
[14]
Beilstein Open Sciences Symposium 2019. Available at: https://www.beilstein-institut.de/en/symposia/open-science.
[15]
Supporting FAIR exchange of chemical data through standards development. Available at: https://iupac.org/event/supporting-fair-exchange-chemical-data-standards-development/.
[16]
FAIR publishing guidelines for spectral data and chemical structures. Available at: https://iupac.org/event/fair-publishing-guidelines-for-spectral-data-and-chemical-structures/.
[17]
M.D. Wilkinson, M. Dumontier, I.J. Aalbersberg, G. Appleton, M. Axton, A. Baak, … & B. Mons. The FAIR guiding principles for scientific data management and stewardship. Scientific Data 3(2016), Article No. 160018. doi: 10.1038/sdata.2016.18.
[18]
The C2CAMP Implementation Network. Available at: https://www.go-fair.org/implementation-networks/overview/c2camp/.
[19]
The FAIRsharing project. Available at: https://fairsharing.org/.
[20]
The GO FAIR making Standards, Repositories, and Policies FAIR Implementation Network. Available at: https://www.go-fair.org/implementation-networks/overview/fair-strepo/.
[21]
The GO Inter Implementation Network. Available at: https://www.go-fair.org/implementation-networks/overview/go-inter/.
[22]
The NOMAD Implementation Network. Available at: https://www.go-fair.org/implementation-networks/overview/nomad/.
Article and author information
Cite As
S.J. Coles, J.G. Frey, E.L. Willighagen & S.J. Chalk. Taking FAIR on the ChIN. Data Intelligence 2(2020), 131–138. doi: 10.1162/dint_a_00035
Simon J. Coles
S. Coles (s.j.coles@soton.ac.uk) coordinated, edited and contributed material.
S.J.Coles@soton.ac.uk
Simon J. Coles is Professor of Structural Chemistry at the University of Southampton and Director of the UK National Crystallography Service. He has promoted open approaches to research and education in Chemistry for many years and is now also Director of the UK Physical Sciences Data-science Service.
0000-0001-8414-9272
Jeremy G. Frey
S. Chalk (schalk@unf.edu), J. Frey (J.G.Frey@soton.ac.uk) and E. Willighagen (egon.willighagen@maastrichtuniversity.nl) all contributed material and reviewed content.
Jeremy G. Frey is a Professor of Physical Chemistry and leads the artificial intelligence (AI) for Scientific Discovery Network. For many years he has investigated and developed e-Science the way digital infrastructure can enhance the intelligent creation, dissemination and analysis of scientific data.
0000-0003-0842-4302
Egon L. Willighagen
S. Chalk (schalk@unf.edu), J. Frey (J.G.Frey@soton.ac.uk) and E. Willighagen (egon.willighagen@maastrichtuniversity.nl) all contributed material and reviewed content.
Egon L. Willighagen is applying cheminformatics and chemometrics to biological questions as Assistant Professor at Maastricht University. He has been promoting Open Science for many years and is Editor-in-Chief of the Journal of Cheminformatics.
0000-0001-7542-0286
Stuart J. Chalk
S. Chalk (schalk@unf.edu), J. Frey (J.G.Frey@soton.ac.uk) and E. Willighagen (egon.willighagen@maastrichtuniversity.nl) all contributed material and reviewed content.
Stuart J. Chalk is applying semantic data modelling approaches to represent experiment and computational scientific data. He is an advocate of open and FAIR data and a Titular member of the IUPAC Committee on Publications and Chemical Data Standards (CPCDS).
0000-0002-0703-7776
Publication records
Published: None (Versions2
References
Data Intelligence