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Record W2057646485 · doi:10.1021/es100437g

More of EPA’s SPARC Online Calculator−The Need for High-Quality Predictions of Chemical Properties

2010· article· en· W2057646485 on OpenAlexaffabout
Hans Peter H. Arp, Steven T. J. Droge, Satoshi Endo, Walter Giger, Kai‐Uwe Goss, Steven B. Hawthorne, Scott A. Mabury, Philipp Mayer, Michael S. McLachlan, James F. Pankow, René P. Schwarzenbach, Frank Wania, Baoshan Xing

Bibliographic record

VenueEnvironmental Science & Technology · 2010
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsThe Scarborough HospitalUniversity of Toronto
Fundersnot available
KeywordsLibrary scienceEngineeringComputer science

Abstract

fetched live from OpenAlex

ADVERTISEMENT RETURN TO ISSUEPREVViewpointNEXTMore of EPA's SPARC Online Calculator−The Need for High-Quality Predictions of Chemical PropertiesAuthors' ViewpointHans Peter H. Arp*, Steven T. J. Droge*, Satoshi Endo*, Walter Giger, Kai-Uwe Goss, Steven B. Hawthorne, Scott A. Mabury, Philipp Mayer, Michael S. Mclachlan, James F. Pankow, René P. Schwarzenbach, Frank Wania, and Baoshan XingView Author Information Norwegian Geotechnical Institute, Oslo UFZ Helmholtz Centre for Environmental Research, Leipzig, Germany UFZ Helmholtz Centre for Environmental Research, Leipzig, Germany Swiss Federal Institute of Aquatic Science and Technology (EAWAG), Dübendorf, Switzerland Giger Research Consulting (GRC), Zurich, Switzerland UFZ Helmholtz Centre for Environmental Research, Leipzig, Germany Energy and Environmental Research Center, University of North Dakota, Grand Forks University of Toronto, Canada Aarhus University, Roskilde, Denmark Stockholm University, Sweden Portland State University, Oregon Swiss Federal Institute of Technology Zurich University of Toronto Scarborough, Canada University of Massachusetts, Amherst* Please address correspondence regarding this Viewpoint to [email protected], [email protected], and/or [email protected]Cite this: Environ. Sci. Technol. 2010, 44, 12, 4400–4401Publication Date (Web):May 18, 2010Publication History Received8 February 2010Published online18 May 2010Published inissue 15 June 2010https://pubs.acs.org/doi/10.1021/es100437ghttps://doi.org/10.1021/es100437gnewsACS PublicationsCopyright © 2010 American Chemical Society. This publication is available under these Terms of Use. Request reuse permissions This publication is free to access through this site. Learn MoreArticle Views2953Altmetric-Citations18LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail PDF (689 KB) Get e-AlertscloseSUBJECTS:Calibration,Molecular modeling,Quality management Get e-Alerts

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 distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesScience and technology studies
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.044
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.004
Scholarly communication0.0000.000
Open science0.0020.001
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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 head0.019
GPT teacher head0.291
Teacher spread0.272 · 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 teacher head, not a consensus.

Study designBench or experimental
Domainnot available
GenreEmpirical

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

Citations21
Published2010
Admission routes2
Has abstractyes

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