(Q31106855)

28 June 2017

title

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

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28 June 2017

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3

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author name string

Claire L Gavaghan

1

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28 June 2017

Catrin Hasselgren Arnby

2

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28 June 2017

Gert Strandlund

4

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28 June 2017

Scott Boyer

5

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28 June 2017

publication date

24 March 2007

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Journal of Computer - Aided Molecular Design

28 June 2017

published in

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28 June 2017

volume

21

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28 June 2017

issue

4

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28 June 2017

page(s)

189-206

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Nonclinical proarrhythmia models: predicting Torsades de Pointes

28 June 2017

cites work

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12 December 2020

A model for identifying HERG K+ channel blockers

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12 December 2020

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

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12 December 2020

A priori molecular descriptors in QSAR: a case of HIV-1 protease inhibitors. I. The chemometric approach.

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12 December 2020

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

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12 December 2020

Acquired QT interval prolongation and HERG: implications for drug discovery and development

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12 December 2020

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

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12 December 2020

Use of in vitro methods to predict QT prolongation

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12 December 2020

Assessing model fit by cross-validation

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12 December 2020

QT prolongation through hERG K(+) channel blockade: current knowledge and strategies for the early prediction during drug development

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12 December 2020

Megavariate analysis of hierarchical QSAR data

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12 December 2020

Non-clinical evaluation of ventricular repolarization (ICH S7B): results of an interim survey of international pharmaceutical companies

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12 December 2020

Predictive models for hERG potassium channel blockers

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12 December 2020

Predicting acute toxicity (LC50) of benzene derivatives using theoretical molecular descriptors: a hierarchical QSAR approach

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12 December 2020

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

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12 December 2020

Optimisation and validation of a medium-throughput electrophysiology-based hERG assay using IonWorks HT.

1 reference

12 December 2020

Functionally-distinct proton-binding in HERG suggests the presence of two binding sites

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12 December 2020

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

1 reference

12 December 2020

A two-state homology model of the hERG K+ channel: application to ligand binding

1 reference

12 December 2020

Developing a strategy for the nonclinical assessment of proarrhythmic risk of pharmaceuticals due to prolonged ventricular repolarization

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12 December 2020

Ionworks HT: a new high-throughput electrophysiology measurement platform.

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12 December 2020

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

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12 December 2020

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

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12 December 2020

A fast empirical method for the calculation of molecular polarizability.

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12 December 2020

Blockade of HERG potassium currents by fluvoxamine: incomplete attenuation by S6 mutations at F656 or Y652

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12 December 2020

Relationships between preclinical cardiac electrophysiology, clinical QT interval prolongation and torsade de pointes for a broad range of drugs: evidence for a provisional safety margin in drug development

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12 December 2020

Search for predictive generic model of aqueous solubility using Bayesian neural nets.

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12 December 2020

Predicting drug-hERG channel interactions that cause acquired long QT syndrome.

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12 December 2020

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

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12 December 2020

A mechanism-mediated model for carcinogenicity: model content and prediction of the outcome of rodent carcinogenicity bioassays currently being conducted on 25 organic chemicals

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12 December 2020

Predictive in silico modeling for hERG channel blockers

1 reference

12 December 2020

Exploring blocker binding to a homology model of the open hERG K+ channel using docking and molecular dynamics methods

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12 December 2020

Drugs, hERG and sudden death

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12 December 2020

LeadScope: software for exploring large sets of screening data

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12 December 2020

10.1007/S10822-006-9095-6

Identifiers

DOI

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journals/jcamd/GavaghanABSB07

28 June 2017

DBLP publication ID

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DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1012584744

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