Comparison of different approaches to define the applicability domain of QSAR models. (Q51375121)

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scientific article published on 25 April 2012

Comparison of Different Approaches to Define the Applicability Domain of QSAR Models

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English	Comparison of different approaches to define the applicability domain of QSAR models.	scientific article published on 25 April 2012	Comparison of Different Approaches to Define the Applicability Domain of QSAR Models

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scholarly article

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30 January 2020

Comparison of different approaches to define the applicability domain of QSAR models (English)

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30 January 2020

pharmaceutical science

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2

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30 January 2020

Davide Ballabio

3

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30 January 2020

Viviana Consonni

5

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30 January 2020

Roberto Todeschini

6

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30 January 2020

author name string

Faizan Sahigara

1

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30 January 2020

Andrea Mauri

4

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30 January 2020

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publication date

25 April 2012

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30 January 2020

1 reference

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30 January 2020

17

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30 January 2020

5

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30 January 2020

4791-4810

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30 January 2020

copyright license

Creative Commons Attribution 4.0 International

25 April 2012

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April 2022 Public Data File from Crossref

copyright status

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Decision forest: combining the predictions of multiple independent decision tree models

1 reference

https://pubmed.ncbi.nlm.nih.gov/22534664

12 December 2020

based on heuristic

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Similarity to molecules in the training set is a good discriminator for prediction accuracy in QSAR

1 reference

https://pubmed.ncbi.nlm.nih.gov/22534664

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The prospects for using (Q)SARs in a changing political environment--high expectations and a key role for the european commission's joint research centre

1 reference

https://pubmed.ncbi.nlm.nih.gov/22534664

12 December 2020

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A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models

1 reference

https://pubmed.ncbi.nlm.nih.gov/22534664

12 December 2020

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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

1 reference

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12 December 2020

based on heuristic

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/22534664

12 December 2020

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An approach to determining applicability domains for QSAR group contribution models: an analysis of SRC KOWWIN

1 reference

https://pubmed.ncbi.nlm.nih.gov/22534664

12 December 2020

based on heuristic

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The importance of the domain of applicability in QSAR modeling

1 reference

https://pubmed.ncbi.nlm.nih.gov/22534664

12 December 2020

based on heuristic

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/22534664

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A new hybrid system of QSAR models for predicting bioconcentration factors (BCF).

1 reference

https://pubmed.ncbi.nlm.nih.gov/22534664

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Comments on the Definition of theQ2Parameter for QSAR Validation

1 reference

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12 December 2020

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Assessment and validation of the CAESAR predictive model for bioconcentration factor (BCF) in fish

1 reference

https://pubmed.ncbi.nlm.nih.gov/22534664

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.3390/MOLECULES17054791

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22534664%20AND%20SRC:MED&resulttype=core&format=json

30 January 2020

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22534664%20AND%20SRC:MED&resulttype=core&format=json

30 January 2020

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22534664%20AND%20SRC:MED&resulttype=core&format=json

30 January 2020

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