(Q39551485)

13 September 2017

title

CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals (English)

1 reference

Quantitative Structure–Property Relationship

13 September 2017

main subject

1 reference

5

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11 June 2020

Igor V. Tetko

8

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11 June 2020

Barun Bhhatarai

1

1 reference

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11 June 2020

Tomas Oberg

4

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11 June 2020

Nikolay Kochev

6

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11 June 2020

Ognyan Pukalov

7

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11 June 2020

Ester Papa

10

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11 June 2020

Paola Gramatica

11

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11 June 2020

author name string

Wolfram Teetz

2

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11 June 2020

Tao Liu

3

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11 June 2020

Simona Kovarich

9

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11 June 2020

language of work or name

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17 March 2011

1 reference

13 September 2017

published in

Molecular Informatics

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11 June 2020

volume

30

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11 June 2020

issue

2-3

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11 June 2020

page(s)

189-204

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27466773%20AND%20SRC:MED&resulttype=core&format=json

Riverine discharge of perfluorinated carboxylates from the European continent

11 June 2020

cites work

1 reference

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Mass spectral studies towards more reliable measurement of perfluorooctanesulfonic acid and other perfluorinated chemicals (PFCs) in food matrices using liquid chromatography/tandem mass spectrometry

21 January 2018

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Sources, fate and transport of perfluorocarboxylates

21 January 2018

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Spatial trends of polyfluorinated compounds in guillemot (Uria aalge) eggs from North-Western Europe

21 January 2018

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Global distribution of perfluorooctane sulfonate in wildlife.

21 January 2018

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Observation of a commercial fluorinated material, the polyfluoroalkyl phosphoric acid diesters, in human sera, wastewater treatment plant sludge, and paper fibers.

21 January 2018

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Are PFCAs bioaccumulative? A critical review and comparison with regulatory criteria and persistent lipophilic compounds.

21 January 2018

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Neural network studies. 1. Comparison of overfitting and overtraining

21 January 2018

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PLS-regression: a basic tool of chemometrics

21 January 2018

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Neural network studies. 4. Introduction to associative neural networks.

21 January 2018

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Bootstrap Methods: Another Look at the Jackknife

21 January 2018

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The importance of outlier detection and training set selection for reliable environmental QSAR predictions.

21 January 2018

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y-Randomization and its variants in QSPR/QSAR.

21 January 2018

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QSAR models using a large diverse set of estrogens

21 January 2018

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21 January 2018

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External validation and prediction employing the predictive squared correlation coefficient test set activity mean vs training set activity mean.

21 January 2018

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(Q)SARS: gatekeepers against risk on chemicals?

21 January 2018

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Statistically validated QSARs, based on theoretical descriptors, for modeling aquatic toxicity of organic chemicals in Pimephales promelas (fathead minnow).

21 January 2018

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Principles of QSAR models validation: internal and external

21 January 2018

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The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models

21 January 2018

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Validated QSAR prediction of OH tropospheric degradation of VOCs: splitting into training-test sets and consensus modeling.

21 January 2018

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Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection

21 January 2018

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Quantitative structure-property relationships for prediction of boiling point, vapor pressure, and melting point

21 January 2018

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Perfluorinated contaminants in fur seal pups and penguin eggs from South Shetland, Antarctica

21 January 2018

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Associative Neural Network

21 January 2018

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How can structural similarity analysis help in category formation?§

21 January 2018

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Comments on the Definition of theQ2Parameter for QSAR Validation

21 January 2018

1 reference

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Synthesis and herbicidal activity of fluorinated N-phenylalkanesulfonamides

21 January 2018

1 reference

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Compound-specific, quantitative characterization of organic fluorochemicals in biological matrices

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201000133

Structural Determination of Paraffin Boiling Points

8 April 2023

1 reference

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From SAR to comparative QSAR: role of hydrophobicity in the design of 4-hydroxy-5,6-dihydropyran-2-ones HIV-1 protease inhibitors

8 April 2023

1 reference

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Global and Local PLS Regression Models to Predict Vapor Pressure

8 April 2023

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Chapter 17. Open Source Tools for Read-Across and Category Formation

8 April 2023

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18 January 2024

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QSAR applicabilty domain estimation by projection of the training set descriptor space: a review

18 January 2024

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18 January 2024

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Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM Workshop 52

18 January 2024

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18 January 2024

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Analysis of per- and polyfluorinated alkyl substances in air samples from Northwest Europe

18 January 2024

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Environmental and toxicity effects of perfluoroalkylated substances

18 January 2024

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Impact of perfluorooctanoic acid on the structure of the zooplankton community in indoor microcosms

18 January 2024

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Associative neural network.

18 January 2024

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Per- and polyfluoro toxicity (LC(50) inhalation) study in rat and mouse using QSAR modeling.

18 January 2024

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18 January 2024

Identifiers

DOI

10.1002/MINF.201000133

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27466773%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

1 reference