(Q34017962)

24976154

30 July 2017

title

Novel Bayesian classification models for predicting compounds blocking hERG potassium channels (English)

1 reference

30 July 2017

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24976154%20AND%20SRC:MED&resulttype=core&format=json

10 June 2020

author name string

Li-li Liu

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24976154%20AND%20SRC:MED&resulttype=core&format=json

10 June 2020

Jing Lu

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24976154%20AND%20SRC:MED&resulttype=core&format=json

10 June 2020

Yin Lu

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24976154%20AND%20SRC:MED&resulttype=core&format=json

10 June 2020

Xiao-min Luo

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24976154%20AND%20SRC:MED&resulttype=core&format=json

10 June 2020

Wei-liang Zhu

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24976154%20AND%20SRC:MED&resulttype=core&format=json

10 June 2020

Hua-liang Jiang

7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24976154%20AND%20SRC:MED&resulttype=core&format=json

10 June 2020

Kai-xian Chen

8

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24976154%20AND%20SRC:MED&resulttype=core&format=json

10 June 2020

publication date

30 June 2014

1 reference

24976154

Acta Pharmacologica Sinica

30 July 2017

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24976154%20AND%20SRC:MED&resulttype=core&format=json

10 June 2020

volume

35

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24976154%20AND%20SRC:MED&resulttype=core&format=json

10 June 2020

issue

8

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24976154%20AND%20SRC:MED&resulttype=core&format=json

10 June 2020

page(s)

1093-1102

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24976154%20AND%20SRC:MED&resulttype=core&format=json

describes a project that uses

10 June 2020

Bayes' theorem

1 reference

18 June 2022

https://europepmc.org/article/PMC/4125710

inferred from PubMed Central ID database lookup

cites work

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Allocryptopine and benzyltetrahydropalmatine block hERG potassium channels expressed in HEK293 cells

28 July 2018

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hERG channel function: beyond long QT

28 July 2018

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ADMET evaluation in drug discovery. 12. Development of binary classification models for prediction of hERG potassium channel blockage

28 July 2018

1 reference

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A critical assessment of combined ligand- and structure-based approaches to HERG channel blocker modeling

28 July 2018

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A comprehensive support vector machine binary hERG classification model based on extensive but biased end point hERG data sets.

28 July 2018

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Prospective validation of a comprehensive in silico hERG model and its applications to commercial compound and drug databases

28 July 2018

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28 July 2018

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A binary QSAR model for classification of hERG potassium channel blockers

28 July 2018

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hERG classification model based on a combination of support vector machine method and GRIND descriptors

28 July 2018

1 reference

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Development, interpretation and temporal evaluation of a global QSAR of hERG electrophysiology screening data

28 July 2018

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Improved naïve Bayesian modeling of numerical data for absorption, distribution, metabolism and excretion (ADME) property prediction

28 July 2018

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Development and evaluation of an in silico model for hERG binding.

28 July 2018

1 reference

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Predictive in silico modeling for hERG channel blockers

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4125710

HERG binding specificity and binding site structure: evidence from a fragment-based evolutionary computing SAR study

28 July 2018

1 reference

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Drug-induced prolongation of the QT interval

28 July 2018

1 reference

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Understanding the Structure−Activity Relationship of the Human Ether-a-go-go-Related Gene Cardiac K+ Channel. A Model for Bad Behavior

28 July 2018

1 reference

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Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches

28 July 2018

1 reference

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A virtual screening method for prediction of the HERG potassium channel liability of compound libraries

28 July 2018

1 reference

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Three-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel

28 July 2018

1 reference

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A structural basis for drug-induced long QT syndrome

28 July 2018

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4125710

Molecular genetic insights into cardiovascular disease

28 July 2018

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A molecular basis for cardiac arrhythmia: HERG mutations cause long QT syndrome

28 July 2018

1 reference

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28 July 2018

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Predicting the potency of hERG K⁺ channel inhibition by combining 3D-QSAR pharmacophore and 2D-QSAR models.

29 October 2018

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ADME evaluation in drug discovery. 10. Predictions of P-glycoprotein inhibitors using recursive partitioning and naive Bayesian classification techniques.

29 October 2018

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In silico binary classification QSAR models based on 4D-fingerprints and MOE descriptors for prediction of hERG blockage.

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4125710

Integrated in silico-in vitro strategy for addressing cytochrome P450 3A4 time-dependent inhibition

29 October 2018

1 reference

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Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.

29 October 2018

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Shape signatures: new descriptors for predicting cardiotoxicity in silico

29 October 2018

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1,2,4-triazol-3-yl-thiopropyl-tetrahydrobenzazepines: a series of potent and selective dopamine D(3) receptor antagonists

29 October 2018

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Insights for Human Ether-a-Go-Go-Related Gene Potassium Channel Inhibition Using Recursive Partitioning and Kohonen and Sammon Mapping Techniques

29 October 2018

1 reference

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Quantitative structure-activity relationship studies on inhibition of HERG potassium channels.

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4125710

A QSAR model of HERG binding using a large, diverse, and internally consistent training set.

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4125710

Determination of hERG channel blockers using a decision tree

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4125710

Using extended-connectivity fingerprints with Laplacian-modified Bayesian analysis in high-throughput screening follow-up

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4125710

A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4125710

Physicochemical determinants for drug induced blockade of HERG potassium channels: effect of charge and charge shielding

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4125710

Classification of kinase inhibitors using a Bayesian model

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4125710

A model for identifying HERG K+ channel blockers

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4125710

Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4125710

Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4125710

3-(4-Fluoropiperidin-3-yl)-2-phenylindoles as high affinity, selective, and orally bioavailable h5-HT(2A) receptor antagonists

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4125710

Predictive models for hERG potassium channel blockers

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4125710

Prediction of hERG K+ blocking potency: application of structural knowledge

29 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24976154

12 December 2020

inferred from PubMed ID database lookup

Common pharmacophores for uncharged human ether-a-go-go-related gene (hERG) blockers

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24976154

12 December 2020

inferred from PubMed ID database lookup

A composite model for HERG blockade

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24976154

12 December 2020

inferred from PubMed ID database lookup

The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service

1 reference

Crossref

https://api.crossref.org/works/10.1038%2FAPS.2014.35

7 January 2021

inferred from DOI database lookup

SMILES. 2. Algorithm for generation of unique SMILES notation

1 reference

Crossref

https://api.crossref.org/works/10.1038%2FAPS.2014.35

7 January 2021

inferred from DOI database lookup

Identifiers

DOI

10.1038/APS.2014.35

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24976154%20AND%20SRC:MED&resulttype=core&format=json

Dimensions Publication ID

10 June 2020

0 references

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24976154%20AND%20SRC:MED&resulttype=core&format=json

10 June 2020

24976154

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24976154%20AND%20SRC:MED&resulttype=core&format=json