Use of QSARs in international decision-making frameworks to predict ecologic effects and environmental fate of chemical substances (Q24815768)

5 July 2017

5 references

19 June 2019

29 June 2019

20 August 2019

12 August 2020

27 September 2020

Use of QSARs in international decision-making frameworks to predict ecologic effects and environmental fate of chemical substances (English)

1 reference

quantitative structure-activity relationship

5 July 2017

main subject

physiological phenomenon

1 reference

20 August 2019

1 reference

1 reference

impact of the environment

12 August 2020

1 reference

decision-making framework

27 September 2020

1 reference

Mark T D Cronin

1

1 reference

5 July 2017

John D Walker

2

1 reference

5 July 2017

Joanna S Jaworska

3

1 reference

5 July 2017

Michael H I Comber

4

1 reference

5 July 2017

Christopher D Watts

5

1 reference

5 July 2017

Andrew P Worth

6

1 reference

5 July 2017

language of work or name

English

0 references

publication date

1 August 2003

6 references

Environmental Health Perspectives

5 July 2017

19 June 2019

29 June 2019

20 August 2019

12 August 2020

27 September 2020

6 references

5 July 2017

19 June 2019

29 June 2019

20 August 2019

12 August 2020

27 September 2020

111

1 reference

5 July 2017

issue

10

1 reference

5 July 2017

page(s)

1376-1390

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Prediction of estrogen receptor binding for 58,000 chemicals using an integrated system of a tree-based model with structural alerts

5 July 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

Probabilistic assessment of biodegradability based on metabolic pathways: CATABOL System

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

Global government applications of analogues, SARs and QSARs to predict aquatic toxicity, chemical or physical properties, environmental fate parameters and health effects of organic chemicals

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

A review of structure-based biodegradation estimation methods

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

QSAR approach to POPs screening for atmospheric persistence.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

QSAR models using a large diverse set of estrogens

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

U.S. EPA regulatory perspectives on the use of QSAR for new and existing chemical evaluations

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

Structure-activity relations: maximizing the usefulness of mutagenicity and carcinogenicity databases

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

Chemical selection by the Interagency Testing Committee: use of computerized substructure searching to identify chemical groups for health effects, chemical fate and ecological effects testing

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

ASTER: an integration of the AQUIRE data base and the QSAR system for use in ecological risk assessments

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

Ligand-based identification of environmental estrogens.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

IUCLID: an information management tool for existing chemicals and biocides.

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

Development and validation of an average mammalian estrogen receptor-based QSAR model

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

An integrated "4-phase" approach for setting endocrine disruption screening priorities--phase I and II predictions of estrogen receptor binding affinity

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

Non-linear modeling of bioconcentration using partition coefficients for narcotic chemicals.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

Androgen receptor binding affinity of pesticide "active" formulation ingredients. QSAR evaluation by COREPA method

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

QSAR and Chemometric Approaches for Setting Water Quality Objectives for Dangerous Chemicals

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

Octanol-water partition: searching for predictive models

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

Application of QSARs in risk management of existing chemicals.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

An extended version of a novel method for the estimation of partition coefficients.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1241621

Classifying environmental pollutants: Part 3. External validation of the classification system

28 November 2018

1 reference

12 December 2020

Reliable assessment of logP of compounds of pharmaceutical relevance

1 reference

12 December 2020

Uses and limitations of quantitative structure-activity relationships (QSARs) to categorize substances on the Canadian domestic substance list as persistent and/or bioaccumulative, and inherently toxic to non-human organisms

1 reference

12 December 2020

Prediction of octanol/water partition coefficients using parameters derived from molecular structures

1 reference

12 December 2020

Experiences with the application of QSAR in the routine of the notification procedure

1 reference

12 December 2020

Atom/fragment contribution method for estimating octanol-water partition coefficients.

1 reference

7 January 2021

Structure—Activity Relationships in Environmental Sciences

1 reference

7 January 2021

Properties of Chemicals and Estimation Methodologies

1 reference

7 January 2021

Computer estimation of the Atmospheric gas-phase reaction rate of organic compounds with hydroxyl radicals and ozone

1 reference

7 January 2021

Group contribution methods to estimate water solubility of organic chemicals

1 reference

7 January 2021

QSAR study on the tropospheric degradation of organic compounds

1 reference

7 January 2021

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

1 reference

7 January 2021

SMILES. 2. Algorithm for generation of unique SMILES notation

1 reference

7 January 2021

The MultiCASE program II. Baseline activity identification algorithm (BAIA).

1 reference

7 January 2021

Group contribution method for predicting probability and rate of aerobic biodegradation

1 reference

7 January 2021

Improved estimation of solubility and partitioning through correction of UNIFAC-derived activity coefficients

1 reference

7 January 2021

Structure-activity relationships in the control of chemical risks

1 reference

7 January 2021

Predictions for existing chemicals-a multilateral QSAR project.

1 reference

7 January 2021

Evaluation of the Use of QSARS for Priority Setting and Risk Assessment

1 reference

7 January 2021

Use of QSARs in international decision-making frameworks to predict health effects of chemical substances

1 reference

7 January 2021

Identifiers

DOI

10.1289/EHP.5759

1 reference

5 July 2017

1 reference

5 July 2017

1 reference