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Guidance for the Compilation, Critical Evaluation and Dissemination of Chemical Data

Published/Copyright: January 7, 2019
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Chemistry International
From the journal Chemistry International Volume 41 Issue 1

Critical evaluation of chemical data has long been an important activity within IUPAC. Thus the current “Guidelines for IUPAC Projects” states: “The core activity of IUPAC is to provide critical evaluations of methods and data and to make recommendations for nomenclature, terminology, metrology, and measurement standards.” Members of the Analytical Chemistry Division’s Subcommittee on Solubility and Equilibrium Data, wanting to learn more about activities related to critical evaluation in other divisions and committees, organized an ad hoc interdivisional discussion on critical evaluation during the 2017 General Assembly (project 2016-043-1-500). This half-day meeting was attended by interested individuals from the Inorganic Chemistry Division (Div II), the Polymer Division (IV), the Analytical Chemistry Division (V), and the Committee on Publications and Cheminformatics Data Standards (CPCDS). From this meeting and subsequent conversations (which have included the Physical and Biophysical Chemistry Division (I) and the Chemistry and the Environment Division (VI) as well as those listed above) two ideas emerged: that the exchange of information and experience among groups and individuals in IUPAC concerned with critical evaluation should continue, and that an important first project would be to develop guidance or best practices for critical evaluation of chemical data. This project addresses that second idea.

Currently active critical evaluation projects within IUPAC are highly varied treating both equilibrium and kinetic data; properties measured with either high and low relative uncertainty; and outputs ranging from monographs to databases. Given this range in the data sets evaluated and the rapidly evolving needs for cheminformatic documentation, guidance is needed to focus on best practices and provide flexibility while at the same time embodying high scientific standards. The Task Group that has been assembled for this project reflects the breadth of IUPAC’s experience in critical evaluation.

The Task Group will consider the three aspects of the critical evaluation process—compilation, evaluation, and dissemination—and develop best practice recommendations for each. Because of the wide variation in the data types that are evaluated, detailed protocols for the work are not considered appropriate. Rather the guidance will consider the qualities that are inherent in a good evaluation (completeness, clarity, traceability, etc.) and how those qualities can be achieved.

For more information and comments, contact Task Group Chair David Shaw <>.

https://iupac.org/project/2018-009-2-500

Published Online: 2019-01-07
Published in Print: 2019-01-01

©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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https://doi.org/10.1515/ci-2019-0117

Articles in the same Issue

  1. Masthead - Full issue pdf
  2. Introduction
  3. The International Year of the Periodic Table 2019
  4. Features
  5. IUPAC and the Periodic Table
  6. Criteria for New Element Discovery: Providing Assurance in a Field of Allure and Romance
  7. Looking Backwards and Forwards at the Development of the Periodic Table
  8. Isotopic Abundances and Atomic Weights: History of IUPAC Commission II.1 in the ­Service of Chemistry
  9. Isotopic Abundances and Atomic Weights: IUPAC Commission II.1 Today
  10. Isotopes Matter
  11. The New SI: The International System of Units is getting a Makeover
  12. IUPAC Wire
  13. Election of IUPAC Officers and Bureau Members—Call for Nominations
  14. Juris Meija Made the Top 40 Under 40
  15. C. Oliver Kappe is Awarded the 2018 IUPAC-ThalesNano Prize for Flow Chemistry
  16. OPCW to Further Enhance Contributions to United Nations’ Sustainable Development Goals
  17. 1001 Inventions: Journeys from Alchemy to Chemistry
  18. Stamps International
  19. Olympic Gold
  20. Project Place
  21. Critical Evaluation of Homogeneous Equilibrium and Solubility Constants of Gadolinium in Environmental and Biological-Relevant Conditions
  22. 23rd UNESCO/IUPAC Postgraduate Course in Polymer Science
  23. Guidance for the Compilation, Critical Evaluation and Dissemination of Chemical Data
  24. Making an imPACt
  25. IUPAC Periodic Table of the Elements and Isotopes (IPTEI) for the Education Community (IUPAC Technical Report)
  26. On the Discovery of New Elements (IUPAC/IUPAP Provisional Report)
  27. Bookworm
  28. Chemistry: Our Past, Present, and Future
  29. Conference Call
  30. Solution Chemistry
  31. Organometallic Chemistry and Challenges in CO2 Activation and Utilization
  32. Congreso Latino Americano de Química
  33. Energetic Materials
  34. Where 2B & Y
  35. Setting their Table: Women and the Periodic Table of Elements
  36. FAIR Publishing Guidelines for Spectral Data and Chemical Structures
  37. Croatian Meeting of Chemists and Chemical Engineers and 4th Vladimir Prelog Symposium
  38. IUPAC For Africa—Postgraduate Summer School on Green Chemistry
  39. In Honor of IUPAC’s 100th Anniversary
  40. Mark Your Calendar
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