(Q44531628)

3 December 2017

title

Similarity-based SIBAR descriptors for classification of chemically diverse hERG blockers (English)

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publication date

14 February 2009

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volume

13

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3 December 2017

issue

3

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3 December 2017

page(s)

321-336

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The hERG potassium channel as a therapeutic target

3 December 2017

cites work

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12 December 2020

Greater than the sum of its parts: combining models for useful ADMET prediction

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12 December 2020

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12 December 2020

hERG potassium channels and cardiac arrhythmia

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A model for identifying HERG K+ channel blockers

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A widely applicable set of descriptors

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12 December 2020

Successful in silico discovery of novel nonsteroidal ligands for human sex hormone binding globulin

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Classification models for HERG inhibitors by counter-propagation neural networks

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12 December 2020

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12 December 2020

Predicting undesirable drug interactions with promiscuous proteins in silico

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12 December 2020

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

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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

Shape signatures: new descriptors for predicting cardiotoxicity in silico

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12 December 2020

The impact of drug-induced QT interval prolongation on drug discovery and development

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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

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

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12 December 2020

Presentation of a structurally diverse and commercially available drug data set for correlation and benchmarking studies

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12 December 2020

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

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12 December 2020

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

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12 December 2020

Computational models for prediction of interactions with ABC-transporters

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12 December 2020

Predicting blood-brain barrier permeation from three-dimensional molecular structure.

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12 December 2020

Support vector machines classification of hERG liabilities based on atom types

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12 December 2020

An accurate and interpretable bayesian classification model for prediction of HERG liability.

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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

Three-dimensional quantitative similarity-activity relationships (3D QSiAR) from SEAL similarity matrices

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Pharmacokinetically based mapping device for chemical space navigation

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Chemography: the art of navigating in chemical space.

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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

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12 December 2020

Binary QSAR: a new method for the determination of quantitative structure activity relationships.

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12 December 2020

Predictive in silico modeling for hERG channel blockers

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12 December 2020

Predictive models for HERG channel blockers: ligand-based and structure-based approaches.

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12 December 2020

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Classification of potential endocrine disrupters on the basis of molecular structure using a nonlinear modeling method.

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A binary QSAR model for classification of hERG potassium channel blockers

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12 December 2020

10.1007/S11030-009-9117-0

Identifiers

DOI

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3 December 2017

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