Demonstration of a consensus approach for the calculation of physicochemical properties required for environmental fate assessments (Q47590087)

4 February 2018

http://europepmc.org/abstract/MED/29197820

title

Demonstration of a consensus approach for the calculation of physicochemical properties required for environmental fate assessments (English)

1 reference

4 February 2018

http://europepmc.org/abstract/MED/29197820

author

Caroline Tebes-Stevens

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29197820%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

Michaela Koopmans

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29197820%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

John Olmstead

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29197820%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

author name string

Jay M Patel

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29197820%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

Said H Hilal

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29197820%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

Nick Pope

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29197820%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

Eric J Weber

7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29197820%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

Kurt Wolfe

8

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29197820%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

language of work or name

English

0 references

publication date

23 November 2017

1 reference

4 February 2018

http://europepmc.org/abstract/MED/29197820

published in

Chemosphere

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29197820%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

volume

194

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29197820%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

page(s)

94-106

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29197820%20AND%20SRC:MED&resulttype=core&format=json

Prediction of Hydrolysis Products of Organic Chemicals under Environmental pH Conditions.

11 June 2020

cites work

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1 December 2018

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An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modelling

1 December 2018

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Ambit-Tautomer: An Open Source Tool for Tautomer Generation

1 December 2018

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Best Practices for QSAR Model Development, Validation, and Exploitation

1 December 2018

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The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTS

1 December 2018

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6146973

InChI, the IUPAC International Chemical Identifier

1 December 2018

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How accurately can we predict the melting points of drug-like compounds?

1 December 2018

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InChI - the worldwide chemical structure identifier standard

1 December 2018

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A Survey of Quantitative Descriptions of Molecular Structure

1 December 2018

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Does rational selection of training and test sets improve the outcome of QSAR modeling?

1 December 2018

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Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on

1 December 2018

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Vapor pressure of solid polybrominated diphenyl ethers determined via Knudsen effusion method

1 December 2018

1 reference

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Peer reviewed: tracking the distribution of persistent organic pollutants

1 December 2018

1 reference

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PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

1 December 2018

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A hierarchical clustering methodology for the estimation of toxicity.

1 December 2018

1 reference

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Workgroup report: review of fish bioaccumulation databases used to identify persistent, bioaccumulative, toxic substances

1 December 2018

1 reference

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Partitioning of polychlorinated biphenyls in octanol/water, triolein/water, and membrane/water systems

1 December 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6146973

Persistent organic pollutants (POPs): state of the science

1 December 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6146973

Vapor pressures and enthalpies of sublimation of 17 polychlorinated dibenzo-p-dioxins and five polychlorinated dibenzofurans

1 December 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6146973

ADME evaluation in drug discovery. 4. Prediction of aqueous solubility based on atom contribution approach.

1 December 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6146973

Random forest: a classification and regression tool for compound classification and QSAR modeling

1 December 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6146973

Predicting the carcinogenic potential of pharmaceuticals in rodents using molecular structural similarity and E-state indices

1 December 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6146973

Assessing the long-range transport potential of polybrominated diphenyl ethers: a comparison of four multimedia models

1 December 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6146973

Slow-stirring method for determining the n-octanol/water partition coefficient (Pow) for highly hydrophobic chemicals: performance evaluation in a ring test

1 December 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6146973

Direct measurement of octanol-water partition coefficients of some environmentally relevant brominated diphenyl ether congeners

1 December 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6146973

Vapor pressures, aqueous solubilities, and Henry's law constants of some brominated flame retardants

1 December 2018

1 reference

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Prediction of n-octanol/water partition coefficients from PHYSPROP database using artificial neural networks and E-state indices.

1 December 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6146973

Prediction of the acute toxicity (96-h LC50) of organic compounds to the fathead minnow (Pimephales promelas) using a group contribution method

1 December 2018

1 reference

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

1 December 2018

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Application of Associative Neural Networks for Prediction of Lipophilicity in ALOGPS 2.1 Program

1 December 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/29197820

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Water Analysis: Emerging Contaminants and Current Issues

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/29197820

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

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

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00057A005

Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of ...

11 September 2021

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00063A006

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

12 September 2021

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/citations/10.1007/S10822-011-9440-2

Identifiers

DOI

10.1016/J.CHEMOSPHERE.2017.11.137

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29197820%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29197820%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

1 reference