Evidence map›Paper›PMID 37746919›Full record

ArticleEnvironmental science & technology2023

Extracting Structural Information from Physicochemical Property Measurements Using Machine Learning─A New Approach for Structure Elucidation in Non-targeted Analysis.

Dimitri Abrahamsson, Christopher L Brueck, Carsten Prasse, Dimitra A Lambropoulou, Lelouda-Athanasia Koronaiou, Miaomiao Wang, June-Soo Park, Tracey J Woodruff

Abstract 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 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing papers in PubMed
–field-weighted citation impact
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

4 citing papers in PubMed.

  1. Review
  2. Article
  3. Article
  4. Article
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

8 authors.

Dimitri AbrahamssonDepartment of Pediatrics, New York University Grossman School of Medicine, New York, New York 10016, United States.ORCID 0000-0002-3402-7565
Christopher L BrueckDepartment of Environmental Health and Engineering, Johns Hopkins University, Baltimore, Maryland 21205, United States.ORCID 0000-0003-2310-1114
Carsten PrasseDepartment of Environmental Health and Engineering, Johns Hopkins University, Baltimore, Maryland 21205, United States.ORCID 0000-0002-1470-141X
Dimitra A LambropoulouDepartment of Chemistry, Aristotle University of Thessaloniki, University Campus, 54124 Thessaloniki Greece.ORCID 0000-0001-5743-7236
Lelouda-Athanasia KoronaiouDepartment of Chemistry, Aristotle University of Thessaloniki, University Campus, 54124 Thessaloniki Greece.
Miaomiao WangDepartment of Toxic Substances Control, Environmental Chemistry Laboratory, California Environmental Agency, Berkeley, California 94710, United States.
June-Soo ParkDepartment of Obstetrics, Gynecology and Reproductive Sciences, Program on Reproductive Health and the Environment, University of California, San Francisco, California 94107, United States.
Tracey J WoodruffDepartment of Obstetrics, Gynecology and Reproductive Sciences, Program on Reproductive Health and the Environment, University of California, San Francisco, California 94107, United States.ORCID 0000-0003-3622-1297

Funding

The Illinois Kids Development Study ECHO Pregnancy and Pediatric CohortUH3OD023272 · OD · UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN · PI Andrea Aguiar, Susan L Schantz · 2018 to 2026
$18.6M
UCSF Environmental Research and Translation for Health Center (EaRTH Center)P30ES030284 · NIEHS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI JENNIFER C FUNG, Tracey J. Woodruff · 2020 to 2026
$11.2M
The Illinois Kids Development Study ECHO Pregnancy and Pediatric CohortUG3OD023272 · OD · UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN · PI SCHANTZ, SUSAN L · 2016 to 2024
$7.2M
Transdisciplinary Approach to Rapidly Identify Reproductive Toxics in Pregnant Women and NewbornsR01ES027051 · NIEHS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI Dimitri Abrahamsson, Tracey J. Woodruff · 2016 to 2026
$6.6M
The UCSF Pregnancy Exposures to Environmental Chemicals (PEEC) Children's CenterP01ES022841 · NIEHS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI FISHER, SUSAN J. · 2013 to 2018
$3.9M
Non-target analysis of maternal and cord blood samples: Advancing computational tools and discovering novel chemicalsR00ES032892 · NIEHS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI ABRAHAMSSON, DIMITRI · 2023 to 2025
$745k
Non-target analysis of maternal and cord blood samples: Advancing computational tools and discovering novel chemicalsK99ES032892 · NIEHS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI ABRAHAMSSON, DIMITRI · 2021 to 2022
$200k
NIEHS NIH HHS K99 ES032892NIEHS NIH HHS P01 ES022841NIEHS NIH HHS P30 ES030284NIEHS NIH HHS R00 ES032892NIEHS NIH HHS R01 ES027051NIH HHS UG3 OD023272NIH HHS UH3 OD023272
6 · The paper itself

Abstract

Non-targeted analysis (NTA) has made critical contributions in the fields of environmental chemistry and environmental health. One critical bottleneck is the lack of available analytical standards for most chemicals in the environment. Our study aims to explore a novel approach that integrates measurements of equilibrium partition ratios between organic solvents and water (

Indexed as

WaterChromatography, LiquidMass SpectrometrySolventsSolventsWatermachine learningnon-targeted analysisphysicochemical propertiesstructure elucidation

Identifiers

PMID37746919
PMCPMC10569036

What OpenQuestion holds

Textmetadata
LicenceCC BY
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.