Complementary PLS and KNN algorithms for improved 3D-QSDAR consensus modeling of AhR binding (Q37350104)

19 August 2017

Complementary PLS and KNN algorithms for improved 3D-QSDAR consensus modeling of AhR binding (English)

1 reference

19 August 2017

0 references

Svetoslav H Slavov

1

1 reference

19 August 2017

Bruce A Pearce

2

1 reference

19 August 2017

Dan A Buzatu

3

1 reference

19 August 2017

Jon G Wilkes

4

1 reference

19 August 2017

Richard D Beger

5

1 reference

19 August 2017

language of work or name

1 reference

21 November 2013

1 reference

Journal of Cheminformatics

19 August 2017

1 reference

19 August 2017

5

1 reference

19 August 2017

1

1 reference

19 August 2017

47

1 reference

Creative Commons Attribution 2.0 Generic

19 August 2017

start time

21 November 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.10.1186/1758-2946-5-47

0 references

cites work

Combining NMR spectral and structural data to form models of polychlorinated dibenzodioxins, dibenzofurans, and biphenyls binding to the AhR.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

Models of polychlorinated dibenzodioxins, dibenzofurans, and biphenyls binding affinity to the aryl hydrocarbon receptor developed using (13)c NMR data

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

A QSAR evaluation of Ah receptor binding of halogenated aromatic xenobiotics

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

¹³C NMR-distance matrix descriptors: optimal abstract 3D space granularity for predicting estrogen binding

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

In silico prediction of aqueous solubility, human plasma protein binding and volume of distribution of compounds from calculated pKa and AlogP98 values

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

Relationship between the Biological Potency of Polychlorinated Dibenzo-p-dioxins and Their Electronic States

26 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

QSAR models for predicting toxicity of polychlorinated dibenzo-p-dioxins and dibenzofurans using quantum chemical descriptors

26 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

Theoretical study of the quantitative structure-activity relationships for the toxicity of dibenzo-p-dioxins

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

QSARs for congener-specific toxicity of polyhalogenated dibenzo-p-dioxins with DFT and WHIM theory

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

Consensus QSAR models: do the benefits outweigh the complexity?

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

QSARs for the toxicity of polychlorinated dibenzofurans through DFT-calculated descriptors of polarizabilities, hyperpolarizabilities and hyper-order electric moments.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

Introducing the consensus modeling concept in genetic algorithms: application to interpretable discriminant analysis.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

Statistical external validation and consensus modeling: a QSPR case study for Koc prediction.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

3D QSAR studies of dioxins and dioxin-like compounds using CoMFA and CoMSIA.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

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

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

Structure-activity relationships for the toxicity of polychlorinated dibenzofurans: approach through density functional theory-based descriptors.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

Decision tree SAR models for developmental toxicity based on an FDA/TERIS database.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

Quantitative structure-activity relationships for 2-[(phenylmethyl)sulfonyl]pyridine 1-oxide herbicides.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3843526

Chlorine substitution pattern, molecular electronic properties, and the nature of the ligand-receptor interaction: quantitative property-activity relationships of polychlorinated dibenzofurans

2 September 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24257141

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

SIMPLS: An alternative approach to partial least squares regression

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-5-47

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

25 March 2023

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-5-47

Chemistry in Three Dimensions

25 March 2023

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-5-47

25 March 2023

Identifiers

DOI

10.1186/1758-2946-5-47

1 reference

journals/jcheminf/SlavovPBWB13

19 August 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

19 August 2017

1 reference