FAIR Publishing Guidelines for Spectral Data and Chemical Structures
Spectral data and chemical structures are most often published as static figures embedded within publisher formatted documents (e.g. PDF). This practice has greatly limited both reuse and discovery of chemical data. The chemical community has recognized this limitation and, as a result, there is wide interest in enhanced sharing of spectral data and chemical structures in the form of machine-readable files. However, there is a lack of guidance for authors specifying how to create, describe, and package machine-readable chemical data alongside publication submissions. This workshop brings together a wide variety of stakeholders including researchers, database providers, publishers, and librarians to map workflow models for preparing and publishing FAIR chemical spectral data and chemical structures. Attendees will consider re-use needs for these data within the chemistry community and other disciplines and formulate value propositions to further engage researchers and other stakeholders. As part of the workflow development, attendees will review existing supporting resources, standards and tools, and identify gaps for further development. The focus will be on designing and implementing what can be accomplished with current resources. Outputs will include documentation for sharing FAIR machine-readable spectral and chemical structure data, and strategies for scaling and sustaining community practice.
Organizers: Leah McEwen and Vincent Scalfani. This workshop is an activity of the IUPAC Subcommittee on Cheminformatics Data Standards (SCDS).
https://iupac.org/event/fair-publishing-guidelines-for-spectral-data-and-chemical-structures/
©2019 IUPAC & De Gruyter. This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License. For more information, please visit: http://creativecommons.org/licenses/by-nc-nd/4.0/
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- Masthead - Full issue pdf
- Introduction
- The International Year of the Periodic Table 2019
- Features
- IUPAC and the Periodic Table
- Criteria for New Element Discovery: Providing Assurance in a Field of Allure and Romance
- Looking Backwards and Forwards at the Development of the Periodic Table
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- Isotopic Abundances and Atomic Weights: IUPAC Commission II.1 Today
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- The New SI: The International System of Units is getting a Makeover
- IUPAC Wire
- Election of IUPAC Officers and Bureau Members—Call for Nominations
- Juris Meija Made the Top 40 Under 40
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- Croatian Meeting of Chemists and Chemical Engineers and 4th Vladimir Prelog Symposium
- IUPAC For Africa—Postgraduate Summer School on Green Chemistry
- In Honor of IUPAC’s 100th Anniversary
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