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Record W3132249344 · doi:10.1515/pac-2020-0403

Good reporting practice for thermophysical and thermochemical property measurements (IUPAC Technical Report)

2021· article· en· W3132249344 on OpenAlexaff
Ala Bazyleva, Jens Abildskov, Andrzej Anderko, Olivier Baudouin, Yury Chernyak, Jean-Charles de Hemptinne, Vladimir Diky, Ralf Dohrn, J. Richard Elliott, Johan Jacquemin, Jean‐Noël Jaubert, Kevin G. Joback, Ursula R. Kattner, Georgios M. Kontogeorgis, Herbert Loría, Paul M. Mathias, John P. O’Connell, Wolffram Schröer, Graham Smith, Ana Soto, Shu Wang, R. D. Weir

Bibliographic record

VenuePure and Applied Chemistry · 2021
Typearticle
Languageen
FieldChemistry
TopicChemical Thermodynamics and Molecular Structure
Canadian institutionsRoyal Military College of CanadaSchlumberger (Canada)Virtual Materials Group (Canada)
FundersInternational Union of Pure and Applied Chemistry
KeywordsChemical nomenclatureProperty (philosophy)Consistency (knowledge bases)ChemistryQuality (philosophy)Property valueValue (mathematics)Management scienceComputer scienceOrganic chemistryEpistemologyEngineeringBusiness

Abstract

fetched live from OpenAlex

Abstract Scientific projects frequently involve measurements of thermophysical, thermochemical, and other related properties of chemical compounds and materials. These measured property data have significant potential value for the scientific community, but incomplete and inaccurate reporting often hampers their utilization. The present IUPAC Technical Report summarizes the needs of chemical engineers and researchers as consumers of these data and shows how publishing practices can improve information transfer. In the Report, general principles of Good Reporting Practice are developed together with examples illustrating typical cases of reporting issues. Adoption of these principles will improve the quality, reproducibility, and usefulness of experimental data, bring a better level of consistency to results, and increase the efficiency and impact of research. Closely related to Good Reporting Practice, basic elements of Good Research Practice are also introduced with a goal to reduce the number of ambiguities and unresolved problems within the thermophysical property data domain.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.357
metaresearch head score (Gemma)0.483
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesMetaresearch
Consensus categoriesMetaresearch
DomainCandidate signal: Reporting · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Methods · Consensus signal: Methods
Teacher disagreement score0.643
Threshold uncertainty score0.793

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.3570.483
Meta-epidemiology (narrow)0.0020.002
Meta-epidemiology (broad)0.0020.002
Bibliometrics0.0140.013
Science and technology studies0.0050.008
Scholarly communication0.0170.010
Open science0.0090.006
Research integrity0.0080.008
Insufficient payload (model declined to judge)0.0060.013

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.017
GPT teacher head0.274
Teacher spread0.256 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; the direct Gemma label and the distilled Codex classifier agree on what is shown here.

Study designNot applicable
DomainReporting
GenreMethods

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations41
Published2021
Admission routes1
Has abstractyes

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