Computational determination of hERG-related cardiotoxicity of drug candidates

scientific article published on 29 May 2019

Computational determination of hERG-related cardiotoxicity of drug candidates is …
instance of (P31):
scholarly articleQ13442814

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P8978DBLP publication IDjournals/bmcbi/LeeYKORBLSOCLN19
P356DOI10.1186/S12859-019-2814-5
P932PMC publication ID6538553
P698PubMed publication ID31138104

P50authorDokyun NaQ58805409
P2093author name stringByung Ho Lee
Donghyun Lee
Kwang-Seok Oh
Hyang-Mi Lee
Dae-Seop Shin
Ki-Hyeong Rhee
Myung-Ae Bae
Myeong-Sang Yu
Hyithaek Ceong
Sayada Reemsha Kazmi
Seong Yun Oh
P2860cites workThree-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channelQ40645984
Computational Tool for Fast in silico Evaluation of hERG K+ Channel AffinityQ42290305
Inter-individual variability and modeling of electrical activity: a possible new approach to explore cardiac safety?Q42361494
Support vector machines classification of hERG liabilities based on atom typesQ45357092
Predicting the potency of hERG K⁺ channel inhibition by combining 3D-QSAR pharmacophore and 2D-QSAR models.Q45961861
Binding studies and GRIND/ALMOND-based 3D QSAR analysis of benzothiazine type K(ATP)-channel openersQ46588422
An in silico approach for screening flavonoids as P-glycoprotein inhibitors based on a Bayesian-regularized neural network.Q51967889
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockersQ57005299
Experimentally Validated Pharmacoinformatics Approach to Predict hERG Inhibition Potential of New Chemical EntitiesQ58553697
GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: The case of hERG K+ channel blockersQ60435095
Common pharmacophores for uncharged human ether-a-go-go-related gene (hERG) blockersQ79416357
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rulesQ28090714
ADMET evaluation in drug discovery. 12. Development of binary classification models for prediction of hERG potassium channel blockageQ28730653
Extended-connectivity fingerprintsQ29616639
Combining multi-species genomic data for microRNA identification using a Naive Bayes classifierQ31034560
Molecular biology of K(+) channels and their role in cardiac arrhythmiasQ31817227
Collation, assessment and analysis of literature in vitro data on hERG receptor blocking potency for subsequent modeling of drugs' cardiotoxic propertiesQ33383073
hERG potassium channels and cardiac arrhythmiaQ34504394
How can we improve our understanding of cardiovascular safety liabilities to develop safer medicines?Q35036150
Experimentally validated HERG pharmacophore models as cardiotoxicity prediction toolsQ35229954
Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac ToxicityQ36095155
In silico prediction of hERG inhibitionQ38447279
hERG me out.Q38453156
Modeling of The hERG K+ Channel Blockage Using Online Chemical Database and Modeling Environment (OCHEM).Q38600481
A binary QSAR model for classification of hERG potassium channel blockersQ40017431
P433issueSuppl 10
P407language of work or nameEnglishQ1860
P304page(s)250
P577publication date2019-05-29
P1433published inBMC BioinformaticsQ4835939
P1476titleComputational determination of hERG-related cardiotoxicity of drug candidates
P478volume20

Reverse relations

Q112609285CardioTox net: a robust predictor for hERG channel blockade based on deep learning meta-feature ensemblescites workP2860

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