(Q63353683)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24773484%20AND%20SRC:MED&resulttype=core&format=json

16 March 2020

title

The QSPR-THESAURUS: the online platform of the CADASTER project (English)

1 reference

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Quantitative Structure–Property Relationship

16 March 2020

main subject

1 reference

7

1 reference

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16 March 2020

Tomas Oberg

12

1 reference

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16 March 2020

13

Nina Jeliazkova

1 reference

16 March 2020

11

Magnus Rahmberg

1 reference

16 March 2020

23

Igor V Tetko

1 reference

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16 March 2020

3

Mojca K Durjava

1 reference

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16 March 2020

18

Iurii Sushko

1 reference

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16 March 2020

author name string

Stefan Brandmaier

1

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16 March 2020

Willie Peijnenburg

2

1 reference

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16 March 2020

Boris Kolar

4

1 reference

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16 March 2020

Paola Gramatica

5

1 reference

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16 March 2020

Ester Papa

6

1 reference

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16 March 2020

Simona Kovarich

8

1 reference

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16 March 2020

Stefano Cassani

9

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16 March 2020

Partha Pratim Roy

10

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16 March 2020

Laura Golsteijn

14

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16 March 2020

Mike Comber

15

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16 March 2020

Larisa Charochkina

16

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16 March 2020

Ahmed Abdelaziz

19

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16 March 2020

Elisa D'Onofrio

20

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16 March 2020

Prakash Kunwar

21

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16 March 2020

Fiorella Ruggiu

22

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16 March 2020

Sergii Novotarskyi

17

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16 March 2020

language of work or name

English

0 references

publication date

1 March 2014

1 reference

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Alternatives to Laboratory Animals

16 March 2020

published in

1 reference

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16 March 2020

volume

42

1 reference

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16 March 2020

issue

1

1 reference

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16 March 2020

page(s)

13-24

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Creative Commons Attribution-NonCommercial 3.0 Unported

16 March 2020

copyright license

start time

1 March 2014

1 reference

April 2023 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

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

1 reference

4 April 2022

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

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

1 reference

13 June 2022

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI100253R

On the Use of Local and Global QSPRs for the Prediction of Physico-chemical Properties of Polybrominated Diphenyl Ethers

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1002/MINF.201000148

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

8 April 2023

1 reference

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

QSAR Modeling is not "Push a Button and Find a Correlation": A Case Study of Toxicity of (Benzo-)triazoles on Algae.

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1002/MINF.201200075

Extension of a prediction model to estimate vapor pressures of perfluorinated compounds (PFCs)

8 April 2023

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

QSAR model reproducibility and applicability: a case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo-)triazoles.

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

PLS-optimal: a stepwise D-optimal design based on latent variables

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Real external predictivity of QSAR models. Part 2. New intercomparable thresholds for different validation criteria and the need for scatter plot inspection

18 January 2024

1 reference

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

18 January 2024

1 reference

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Daphnia and fish toxicity of (benzo)triazoles: validated QSAR models, and interspecies quantitative activity-activity modelling.

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Prioritisation of polybrominated diphenyl ethers (PBDEs) by using the QSPR-THESAURUS web tool

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Oral LD50 toxicity modeling and prediction of per- and polyfluorinated chemicals on rat and mouse.

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Uncertainty in QSAR predictions.

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Arguments for considering uncertainty in QSAR predictions in hazard and risk assessments.

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

QSAR classification models for the prediction of endocrine disrupting activity of brominated flame retardants.

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

QSAR modeling and prediction of the endocrine-disrupting potencies of brominated flame retardants

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

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

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Assessing bioaccumulation of polybrominated diphenyl ethers for aquatic species by QSAR modeling

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

QSAR classification models for the screening of the endocrine-disrupting activity of perfluorinated compounds.

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Applicability domain for in silico models to achieve accuracy of experimental measurements

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Brominated flame retardants: cause for concern?

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Understanding quantitative structure-property relationships uncertainty in environmental fate modeling

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

The perspectives of computational chemistry modeling

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

BOINC: A System for Public-Resource Computing and Storage

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

QSAR prediction of the competitive interaction of emerging halogenated pollutants with human transthyretin.

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Read-across estimates of aquatic toxicity for selected fragrances

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Assessing predictive uncertainty in comparative toxicity potentials of triazoles.

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Prediction of Aqueous Solubility, Vapor Pressure and Critical Micelle Concentration for Aquatic Partitioning of Perfluorinated Chemicals

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Experimental assessment of the environmental fate and effects of triazoles and benzotriazole.

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Acute toxicity of poly- and perfluorinated compounds to two cladocerans, Daphnia magna and Chydorus sphaericus.

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Evaluation of CADASTER QSAR models for the aquatic toxicity of (benzo)triazoles and prioritisation by consensus prediction.

18 January 2024

2 references

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

18 January 2024

https://opencitations.net/index/api/v1/citations/10.1177/026119291304100107

From descriptors to predicted properties: experimental design by using applicability domain estimation

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Physicochemical Properties and Aquatic Toxicity of Poly- and Perfluorinated Compounds

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Species Sensitivity Distribution estimation from uncertain (QSAR-based) effects data

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Modelling physico-chemical properties of (benzo)triazoles, and screening for environmental partitioning

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Exemplification of the implementation of alternatives to experimental testing in chemical risk assessment - case studies from the CADASTER Project. Preface.

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

An evaluation of experimental design in QSAR modelling utilizing thek-medoid clustering

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Toxicity of polyfluorinated and perfluorinated compounds to lettuce (Lactuca sativa) and green algae (Pseudokirchneriella subcapitata).

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Can we estimate the accuracy of ADME-Tox predictions?

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

MOPAC: a semiempirical molecular orbital program

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Development, Validation and Inspection of the Applicability Domain of QSPR Models for Physicochemical Properties of Polybrominated Diphenyl Ethers

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Real external predictivity of QSAR models: how to evaluate it? Comparison of different validation criteria and proposal of using the concordance correlation coefficient

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Quantitative structure-activity relationship modelling of oral acute toxicity and cytotoxic activity of fragrance materials in rodents

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Uncertainty of the hazardous concentration and fraction affected for normal species sensitivity distributions

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Robustness in experimental design: A study on the reliability of selection approaches

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

Confidence limits for hazardous concentrations based on logistically distributed NOEC toxicity data

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1177/026119291404200104

10.1177/026119291404200104

18 January 2024

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24773484%20AND%20SRC:MED&resulttype=core&format=json

16 March 2020

1 reference