(Q41875931)

13 October 2017

Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions (English)

1 reference

nearest neighbour algorithm

13 October 2017

1 reference

3

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13 October 2017

4

1 reference

13 October 2017

Davide Ballabio

2

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author name string

Faizan Sahigara

series ordinal

1

1 reference

13 October 2017

30 May 2013

1 reference

Journal of Cheminformatics

13 October 2017

1 reference

13 October 2017

5

1 reference

13 October 2017

1

1 reference

13 October 2017

27

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Creative Commons Attribution 2.0 Generic

13 October 2017

start time

30 May 2013

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

1 reference

April 2022 Public Data File from Crossref

exact match

https://scigraph.springernature.com/pub.10.1186/1758-2946-5-27

0 references

cites work

Locally centred Mahalanobis distance: a new distance measure with salient features towards outlier detection

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3679843

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

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3679843

Melting point prediction employing k-nearest neighbor algorithms and genetic parameter optimization

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3679843

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

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3679843

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

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3679843

Consensus kNN QSAR: a versatile method for predicting the estrogenic activity of organic compounds in silico. A comparative study with five estrogen receptors and a large, diverse set of ligands.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3679843

Rational selection of training and test sets for the development of validated QSAR models

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3679843

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

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3679843

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

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3679843

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

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3679843

Using particle swarms for the development of QSAR models based on K-nearest neighbor and kernel regression

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3679843

Comments on the Definition of theQ2Parameter for QSAR Validation

18 August 2018

1 reference

Crossref

https://api.crossref.org/works/10.1186%2F1758-2946-5-27

21 January 2018

1 reference

12 December 2020

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

12 December 2020

kappa Nearest neighbors QSAR modeling as a variational problem: theory and applications

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

12 December 2020

Best Practices for QSAR Model Development, Validation, and Exploitation

1 reference

12 December 2020

Evaluation of model predictive ability by external validation techniques

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-5-27

2 January 2022

Identifiers

DOI

10.1186/1758-2946-5-27

1 reference

journals/jcheminf/SahigaraBTC13

13 October 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1 reference

9 September 2019

https://scigraph.springernature.com/pub.10.1186/1758-2946-5-27

PMC publication ID

3679843

1 reference

PMC publication ID

3679843

13 October 2017

PubMed publication ID

23721648

1 reference

PMC publication ID

3679843