(Q39551118)

13 September 2017

Development and Comparison of hERG Blocker Classifiers: Assessment on Different Datasets Yields Markedly Different Results (English)

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13 September 2017

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2

Robert C Glen

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PubMed ID

27467090

Richard L Marchese Robinson

13 September 2017

object named as

Richard L Marchese Robinson

series ordinal

1

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author name string

John B O Mitchell

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3

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13 September 2017

6 May 2011

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13 September 2017

Molecular Informatics

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13 September 2017

30

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13 September 2017

443-458

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13 September 2017

5

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hERG potassium channels and cardiac arrhythmia

13 September 2017

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Collation, assessment and analysis of literature in vitro data on hERG receptor blocking potency for subsequent modeling of drugs' cardiotoxic properties

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Modeling HERG and its interactions with drugs: recent advances in light of current potassium channel simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Predicting QT prolongation in humans during early drug development using hERG inhibition and an anaesthetized guinea-pig model

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Shape signatures: new descriptors for predicting cardiotoxicity in silico

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

A binary QSAR model for classification of hERG potassium channel blockers

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Estimation of hERG inhibition of drug candidates using multivariate property and pharmacophore SAR.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Oxycodone is associated with dose-dependent QTc prolongation in patients and low-affinity inhibiting of hERG activity in vitro

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Automated electrophysiology in the preclinical evaluation of drugs for potential QT prolongation

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Assessing the accuracy of prediction algorithms for classification: an overview

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Comparing two K-category assignments by a K-category correlation coefficient.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

How to winnow actives from inactives: introducing molecular orthogonal sparse bigrams (MOSBs) and multiclass Winnow.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Ligand-target prediction using Winnow and naive Bayesian algorithms and the implications of overall performance statistics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Identifying Important Risk Factors for Survival in Kidney Graft Failure Patients Using Random Survival Forests

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Random forest: a classification and regression tool for compound classification and QSAR modeling.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Extended-connectivity fingerprints

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

A widely applicable set of descriptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

SMILES. 2. Algorithm for generation of unique SMILES notation

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

A comparison of random forest and its Gini importance with standard chemometric methods for the feature selection and classification of spectral data

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Medicinal chemistry of hERG optimizations: Highlights and hang-ups

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Docking model of drug binding to the human ether-à-go-go potassium channel guided by tandem dimer mutant patch-clamp data: a synergic approach

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Drug binding to HERG channels: evidence for a 'non-aromatic' binding site for fluvoxamine

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

The hERG potassium channel and drug trapping: insight from docking studies with propafenone derivatives

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

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.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Predictive QSAR Models for Polyspecific Drug Targets: The Importance of Feature Selection

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201000159

Variability in the measurement of hERG potassium channel inhibition: effects of temperature and stimulus pattern

21 January 2018

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201000159

Non-cardiac QTc-prolonging drugs and the risk of sudden cardiac death

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201000159

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201000159

In silico classification of HERG channel blockers: a knowledge-based strategy

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201000159

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

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201000159

8 April 2023

Identifiers

DOI

10.1002/MINF.201000159

1 reference

13 September 2017

1 reference

PubMed ID

27467090