Evidence map›Paper›PMID 39411268›Full record

ArticleFrontiers in toxicology2024

Workflow for predictive risk assessments of UVCBs: cheminformatics library design, QSAR, and read-across approaches applied to complex mixtures of metal naphthenates.

A J Prussia, C Welsh, T S Somers, P Ruiz

Abstract read
In one paragraph

Article in Frontiers in toxicology, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. 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

4 authors.

A J PrussiaOffice of Innovation and Analytics, Agency for Toxic Substances and Disease Registry, Atlanta, GA, United States.
C WelshOffice of Innovation and Analytics, Agency for Toxic Substances and Disease Registry, Atlanta, GA, United States.
T S SomersOffice of Community Health and Hazard Assessment, Agency for Toxic Substances and Disease Registry, Atlanta, GA, United States.
P RuizOffice of Innovation and Analytics, Agency for Toxic Substances and Disease Registry, Atlanta, GA, United States.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Substances of unknown or variable composition, complex reaction products, and biological materials (UVCBs) are commonly found in the environment. However, assessing their human toxicological risk is challenging due to their variable composition and many constituents. Metal naphthenate salts are one such category of UVCBs that are the reaction products of naphthenic acids with metals to form complex mixtures. Metal naphthenates are often found or used in household and industrial materials with potential for human exposure, but very few of these materials have been evaluated for causing human health hazards. Herein, we evaluate metal naphthenates using predictions derived from read-across and quantitative structure-activity/property relationship (QSAR/QSPR) models. Accordingly, we first built a computational chemistry library by enumerating the structures of naphthenic acids and derived 11,850 QSAR-acceptable structures; then, we used open and commercial

Indexed as

cheminformaticsmetal naphthenatesquantitative structure–activity relationshipsquantitative structure–property relationshipsread-acrossrisk assessmentunknown or variable composition complex reaction products and biological materials (UVCBs)virtual chemical library

Identifiers

PMID39411268
PMCPMC11473587

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.