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Record W4412710639 · doi:10.1021/acsenvironau.5c00034

Reporting Chemical Data in the Environmental Sciences

2025· review· en· W4412710639 on OpenAlexafffund
Sivani Baskaran, Parviel Chirsir, Shira Joudan, Raoul Wolf, Evan Bolton, Paul Thiessen, Emma Schymanski

Bibliographic record

VenueACS Environmental Au · 2025
Typereview
Languageen
FieldChemistry
TopicHistory and advancements in chemistry
Canadian institutionsUniversity of Alberta
FundersH2020 EnvironmentU.S. National Library of MedicineNatural Sciences and Engineering Research Council of CanadaFonds National de la Recherche Luxembourg
KeywordsData scienceEnvironmental scienceComputer science

Abstract

fetched live from OpenAlex

Environmental sciences, including environmental chemistry and toxicology, are highly interdisciplinary fields that integrate researchers with various backgrounds and expertise. This interdisciplinary aspect is critical to addressing issues of chemical pollution, environmental sustainability, and health. However, a standardized method for reporting chemical data is needed to address these issues effectively. This becomes increasingly important as both the number of chemical structures and our reliance on and use of computational analysis and cheminformatics tools grow. This paper provides background, examples, and recommendations on how to report chemical data in a findable, accessible, interoperable, and reproducible (FAIR) manner within environmental science disciplines. Ultimately, the goal is to broaden the scope and applicability of environmental research to help the entire community tackle the issues of chemical pollution and sustainability in a comprehensive manner.

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)0.006
metaresearch head score (Gemma)0.008
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesMetaresearch
Consensus categoriesnone
DomainCandidate signal: Reporting · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Review · Consensus signal: Review
Teacher disagreement score0.994
Threshold uncertainty score0.033

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0060.008
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0060.007
Science and technology studies0.0010.002
Scholarly communication0.0040.007
Open science0.0030.003
Research integrity0.0030.004
Insufficient payload (model declined to judge)0.0050.004

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 head0.082
GPT teacher head0.348
Teacher spread0.266 · 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; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

Study designNot applicable
DomainReporting
GenreReview

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

Citations3
Published2025
Admission routes2
Has abstractyes

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