Evidence map›Paper›PMID 37914529›Full record

ArticleEnvironmental science & technology2023

Potential for Machine Learning to Address Data Gaps in Human Toxicity and Ecotoxicity Characterization.

Kerstin von Borries, Hanna Holmquist, Marissa Kosnik, Katie V Beckwith, Olivier Jolliet, Jonathan M Goodman, Peter Fantke

Open access · greenAbstract read
In one paragraph

Article in Environmental science & technology, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.

0numbers the graph read from it
0cells of the map it votes in
13citing papers in PubMed
6.3field-weighted citation impact, top 3% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

13 citing papers in PubMed, 32 citations in OpenAlex.

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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors at 3 institutions in 3 countries.

Kerstin von BorriesQuantitative Sustainability Assessment, Department of Environmental and Resource Engineering, Technical University of Denmark, Bygningstorvet 115, 2800 Kgs. Lyngby, Denmark.ORCID 0000-0001-9438-6562
Hanna HolmquistIVL Swedish Environmental Research Institute, Aschebergsgatan 44, 411 33 Göteborg, Sweden.
Marissa KosnikQuantitative Sustainability Assessment, Department of Environmental and Resource Engineering, Technical University of Denmark, Bygningstorvet 115, 2800 Kgs. Lyngby, Denmark.
Katie V BeckwithCentre for Molecular Informatics, Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.
Olivier JollietQuantitative Sustainability Assessment, Department of Environmental and Resource Engineering, Technical University of Denmark, Bygningstorvet 115, 2800 Kgs. Lyngby, Denmark.
Jonathan M GoodmanCentre for Molecular Informatics, Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.ORCID 0000-0002-8693-9136
Peter FantkeQuantitative Sustainability Assessment, Department of Environmental and Resource Engineering, Technical University of Denmark, Bygningstorvet 115, 2800 Kgs. Lyngby, Denmark.ORCID 0000-0001-7148-6982
Technical University of Denmark · DKUniversity of Cambridge · GBIVL Swedish Environmental Research Institute · SE

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Machine Learning (ML) is increasingly applied to fill data gaps in assessments to quantify impacts associated with chemical emissions and chemicals in products. However, the systematic application of ML-based approaches to fill chemical data gaps is still limited, and their potential for addressing a wide range of chemicals is unknown. We prioritized chemical-related parameters for chemical toxicity characterization to inform ML model development based on two criteria: (1) each parameter's relevance to robustly characterize chemical toxicity described by the uncertainty in characterization results attributable to each parameter and (2) the potential for ML-based approaches to predict parameter values for a wide range of chemicals described by the availability of chemicals with measured parameter data. We prioritized 13 out of 38 parameters for developing ML-based approaches, while flagging another nine with critical data gaps. For all prioritized parameters, we performed a chemical space analysis to assess further the potential for ML-based approaches to predict data for diverse chemicals considering the structural diversity of available measured data, showing that ML-based approaches can potentially predict 8-46% of marketed chemicals based on 1-10% with available measured data. Our results can systematically inform future ML model development efforts to address data gaps in chemical toxicity characterization.

Indexed as

Machine LearningHumansRisk Assessmentchemical propertieschemical spacechemical substitutionlife cycle impact assessmentprioritizationrisk screeningsafe and sustainable by designuncertainty

Identifiers

PMID37914529
PMCPMC10666540
OpenAlexW4388153182

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.