Chemical data evaluation: general considerations and approaches for IUPAC projects and the chemistry community (IUPAC Technical Report)

David G. Shaw; Ian Bruno; Stuart Chalk; Glenn Hefter; David Brynn Hibbert; Robin A. Hutchinson; M. Clara F. Magalhães; Joseph Magee; Leah R. McEwen; John Rumble; Gregory T. Russell; Earle Waghorne; Thomas Walczyk; Timothy J. Wallington

doi:10.1515/pac-2022-0802

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Chemical data evaluation: general considerations and approaches for IUPAC projects and the chemistry community (IUPAC Technical Report)

Journal article

Open access

Peer reviewed

Chemical data evaluation: general considerations and approaches for IUPAC projects and the chemistry community (IUPAC Technical Report)

David G. Shaw, Ian Bruno, Stuart Chalk, Glenn Hefter, David Brynn Hibbert, Robin A. Hutchinson, M. Clara F. Magalhães, Joseph Magee, Leah R. McEwen, John Rumble, …

Pure and applied chemistry, Vol.95(10)

2023

DOI: https://doi.org/10.1515/pac-2022-0802

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Abstract

The International Union of Pure and Applied Chemistry has a long tradition of supporting the compilation of chemical data and their evaluation through direct projects, nomenclature and terminology work, and partnerships with international scientific bodies, government agencies, and other organizations. The IUPAC Interdivisional Subcommittee on Critical Evaluation of Data has been established to provide guidance on issues related to the evaluation of chemical data. In this first report, we define the general principles of the evaluation of scientific data and describe best practices and approaches to data evaluation in chemistry.

Details

Title: Chemical data evaluation: general considerations and approaches for IUPAC projects and the chemistry community (IUPAC Technical Report)
Authors/Creators: David G. Shaw - University of Alaska Fairbanks
Ian Bruno - Cambridge Crystallographic Data Centre
Stuart Chalk - Dept. Chemistry , Univ. North Florida , Jacksonville , FL 32224 , USA
Glenn Hefter - Chemistry Dept. , Murdoch Univ. , Murdoch , WA 6150 , Australia
David Brynn Hibbert - School of Chemistry , UNSW Sydney , Sydney , NSW 2052 , Australia
Robin A. Hutchinson - Queen's University
M. Clara F. Magalhães - UNSW Sydney
Joseph Magee - National Institute of Standards and Technology
Leah R. McEwen - Cornell University
John Rumble - R&R Data Services , Gaithersburg , MD , USA
Gregory T. Russell - School of Physical and Chemical Sciences , Private Bag 4800 , Christchurch 8140 , New Zealand
Earle Waghorne - University College Dublin
Thomas Walczyk - National University of Singapore
Timothy J. Wallington - Research & Advanced Engineering , Ford Motor Company , Dearborn , MI 48121 , USA
Publication Details: Pure and applied chemistry, Vol.95(10)
Publisher: De Gruyter
Identifiers: 991005602268607891
Murdoch Affiliation: School of Mathematics, Statistics, Chemistry and Physics
Language: English
Resource Type: Journal article

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Collaboration types: Industry collaboration; Domestic collaboration; International collaboration
Citation topics: 2 Chemistry; 2.53 Polymers & Macromolecules; 2.53.266 Advanced Polymerization
Web Of Science research areas: Chemistry, Multidisciplinary
ESI research areas: Chemistry