Evidence map›Paper›PMID 29729507›Full record

ArticleThe Science of the total environment2018

Rapid experimental measurements of physicochemical properties to inform models and testing.

Chantel I Nicolas, Kamel Mansouri, Katherine A Phillips, Christopher M Grulke, Ann M Richard, Antony J Williams, James Rabinowitz, Kristin K Isaacs, Alice Yau, John F Wambaugh

Abstract read
In one paragraph

Article in The Science of the total environment, 2018. 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
–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

13 citing papers in PubMed.

  1. An Assessment of the Ocular Toxicity of Two Major Sources of Environmental Exposure.International journal of environmental research and public health · 2024
    Article
  2. Article
  3. Article
  4. The chemical landscape of high-throughput new approach methodologies for exposure.Journal of exposure science & environmental epidemiology · 2022
    Review
  5. Article
  6. Article
  7. Article
  8. Article
  9. Review
  10. Article
  11. New Approach Methodologies for Exposure Science.Current opinion in toxicology · 2019
    Article
  12. Article
  13. 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

10 authors.

Chantel I NicolasScitoVation, LLC 6 Davis Drive, Durham, NC 27703, USA; National Center for Computational Toxicology, Office of Research and Development, US EPA, Research Triangle Park, NC 27711, USA; Oak Ridge Institute for Science and Education, Oak Ridge, TN 37831, USA.
Kamel MansouriScitoVation, LLC 6 Davis Drive, Durham, NC 27703, USA; National Center for Computational Toxicology, Office of Research and Development, US EPA, Research Triangle Park, NC 27711, USA; Oak Ridge Institute for Science and Education, Oak Ridge, TN 37831, USA.
Katherine A PhillipsNational Exposure Research Laboratory, Office of Research and Development, US EPA, Research Triangle Park, NC 27711, USA.
Christopher M GrulkeNational Center for Computational Toxicology, Office of Research and Development, US EPA, Research Triangle Park, NC 27711, USA.
Ann M RichardNational Center for Computational Toxicology, Office of Research and Development, US EPA, Research Triangle Park, NC 27711, USA.
Antony J WilliamsNational Center for Computational Toxicology, Office of Research and Development, US EPA, Research Triangle Park, NC 27711, USA.
James RabinowitzNational Center for Computational Toxicology, Office of Research and Development, US EPA, Research Triangle Park, NC 27711, USA.
Kristin K IsaacsNational Exposure Research Laboratory, Office of Research and Development, US EPA, Research Triangle Park, NC 27711, USA.
Alice YauSouthwest Research Institute, San Antonio, TX 78238, USA.
John F WambaughNational Center for Computational Toxicology, Office of Research and Development, US EPA, Research Triangle Park, NC 27711, USA. Electronic address: Wambaugh.john@epa.gov.

Funding

Intramural EPA EPA999999
6 · The paper itself

Abstract

The structures and physicochemical properties of chemicals are important for determining their potential toxicological effects, toxicokinetics, and route(s) of exposure. These data are needed to prioritize the risk for thousands of environmental chemicals, but experimental values are often lacking. In an attempt to efficiently fill data gaps in physicochemical property information, we generated new data for 200 structurally diverse compounds, which were rigorously selected from the USEPA ToxCast chemical library, and whose structures are available within the Distributed Structure-Searchable Toxicity Database (DSSTox). This pilot study evaluated rapid experimental methods to determine five physicochemical properties, including the log of the octanol:water partition coefficient (known as log(K

Indexed as

Models, ChemicalPilot ProjectsQuantitative Structure-Activity RelationshipSolubilityUnited StatesUnited States Environmental Protection AgencyWaterWaterChemical featuresEnvironmental chemicalsPhysicochemical propertiesPredictive modelingQSAR

Identifiers

PMID29729507
PMCPMC6214190

What OpenQuestion holds

Textmetadata
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.