Search results for "hERG"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
145	Alan P. Benson, Moza Al-Owais, Wing Chiu Tong, Arun V. Holden	HERG Effects on Ventricular Action Potential Duration and Tissue Vulnerability: A Computational Study.	FIMH	2009	DBLP DOI BibTeX RDF	Cardiac, hERG, long QT syndrome, computational model, arrhythmia
53	Gunnar Seemann, Paola Carillo, Daniel L. Weiß, Martin W. Krueger, Olaf Dössel, Eberhard P. Scholz	Investigating Arrhythmogenic Effects of the hERG Mutation N588K in Virtual Human Atria.	FIMH	2009	DBLP DOI BibTeX RDF
50	Hyunho Kim, Hojung Nam	hERG-Att: Self-attention-based deep neural network for predicting hERG blockers.	Comput. Biol. Chem.	2020	DBLP DOI BibTeX RDF
50	Peter Schmidtke, Marine Ciantar, Isabelle Theret, Pierre Ducrot	Dynamics of hERG Closure Allow Novel Insights into hERG Blocking by Small Molecules.	J. Chem. Inf. Model.	2014	DBLP DOI BibTeX RDF
28	Cecilia Sönströd, Ulf Johansson, Ulf Norinder, Henrik Boström	Comprehensible Models for Predicting Molecular Interaction with Heart-Regulating Genes.	ICMLA	2008	DBLP DOI BibTeX RDF
25	Issar Arab, Kristof Egghe, Kris Laukens, Ke Chen, Khaled H. Barakat, Wout Bittremieux	Benchmarking of Small Molecule Feature Representations for hERG, Nav1.5, and Cav1.2 Cardiotoxicity Prediction.	J. Chem. Inf. Model.	2024	DBLP DOI BibTeX RDF
25	Gregory W. Kyro, Matthew T. Martin, Eric D. Watt, Victor S. Batista	CardioGenAI: A Machine Learning-Based Framework for Re-Engineering Drugs for Reduced hERG Liability.	CoRR	2024	DBLP DOI BibTeX RDF
25	Flavio Costa, Riccardo Ocello, Carlo Guardiani, Alberto Giacomello, Matteo Masetti	Integrated Approach Including Docking, MD Simulations, and Network Analysis Highlights the Action Mechanism of the Cardiac hERG Activator RPR260243.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
25	Francesco Pettini, Carmen Domene, Simone Furini	Early Steps in C-Type Inactivation of the hERG Potassium Channel.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
25	Tianyi Wang, Jianqiang Sun, Qi Zhao	Investigating cardiotoxicity related with hERG channel blockers using molecular fingerprints and graph attention mechanism.	Comput. Biol. Medicine	2023	DBLP DOI BibTeX RDF
25	Hongsong Feng, Guo-Wei Wei 0001	Virtual screening of DrugBank database for hERG blockers using topological Laplacian-assisted AI models.	Comput. Biol. Medicine	2023	DBLP DOI BibTeX RDF
25	Kiril Lanevskij, Remigijus Didziapetris, Andrius Sazonovas	Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction.	J. Comput. Aided Mol. Des.	2022	DBLP DOI BibTeX RDF
25	Xudong Zhang, Jun Mao, Min Wei, Yifei Qi, John Z. H. Zhang	HergSPred: Accurate Classification of hERG Blockers/Nonblockers with Machine-Learning Models.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
25	Hyunho Kim, Minsu Park, Ingoo Lee, Hojung Nam	BayeshERG: a robust, reliable and interpretable deep learning model for predicting hERG channel blockers.	Briefings Bioinform.	2022	DBLP DOI BibTeX RDF
25	Eleni Pitsillou, Julia Liang, Raymond C. Beh, Jacqueline Prestedge, Seda Catak, Andrew Hung, Tom C. Karagiannis	Identification of novel bioactive compounds from Olea europaea by evaluation of chemical compounds in the OliveNet™ library: in silico bioactivity and molecular modelling, and in vitro validation of hERG activity.	Comput. Biol. Medicine	2022	DBLP DOI BibTeX RDF
25	Weizhe Ding, Yang Nan, Juanshu Wu, Chenyang Han, Xiangxin Xin, Siyuan Li, Hongsheng Liu, Li Zhang 0060	Combining multi-dimensional molecular fingerprints to predict the hERG cardiotoxicity of compounds.	Comput. Biol. Medicine	2022	DBLP DOI BibTeX RDF
25	Fernando Escobar, Julio Gomis-Tena, Javier Saiz, Lucía Romero 0001	Automatic modeling of dynamic drug-hERG channel interactions using three voltage protocols and machine learning techniques: A simulation study.	Comput. Methods Programs Biomed.	2022	DBLP DOI BibTeX RDF
25	Teresa Maria Creanza, Pietro Delre, Nicola Ancona, Giovanni Lentini, Michele Saviano, Giuseppe Felice Mangiatordi	Structure-Based Prediction of hERG-Related Cardiotoxicity: A Benchmark Study.	J. Chem. Inf. Model.	2021	DBLP DOI BibTeX RDF
25	Kuo-Hao Lee, Andrew D. Fant, Jiqing Guo, Andy Guan, Joslyn Jung, Mary Kudaibergenova, Williams E. Miranda, Therese Ku, Jianjing Cao, Soren Wacker, Henry J. Duff, Amy Hauck Newman, Sergei Yu Noskov, Lei Shi 0006	Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach.	J. Chem. Inf. Model.	2021	DBLP DOI BibTeX RDF
25	Aditya Sarkar, Arnav Bhavsar	Virtual Screening of Pharmaceutical Compounds with hERG Inhibitory Activity (Cardiotoxicity) using Ensemble Learning.	CoRR	2021	DBLP BibTeX RDF
25	Issar Arab, Khaled H. Barakat	ToxTree: descriptor-based machine learning models for both hERG and Nav1.5 cardiotoxicity liability predictions.	CoRR	2021	DBLP BibTeX RDF
25	Abdul Karim, Matthew Lee 0015, Thomas Balle, Abdul Sattar 0001	CardioTox net: a robust predictor for hERG channel blockade based on deep learning meta-feature ensembles.	J. Cheminformatics	2021	DBLP DOI BibTeX RDF
25	Aditya Sarkar, Arnav Bhavsar	Virtual Screening of Pharmaceutical Compounds with hERG Inhibitory Activity (Cardiotoxicity) using Ensemble Learning.	BIOIMAGING	2021	DBLP DOI BibTeX RDF
25	Callum J. Dickson, Camilo Velez-Vega, José S. Duca	Revealing Molecular Determinants of hERG Blocker and Activator Binding.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
25	Vishal B. Siramshetty, Dac-Trung Nguyen, Natalia J. Martinez, Noel Southall, Anton Simeonov, Alexey V. Zakharov	Critical Assessment of Artificial Intelligence Methods for Prediction of hERG Channel Inhibition in the "Big Data" Era.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
25	Eva-Maria Zangerl-Plessl, Martin Berger, Martina Drescher, Yong Chen, Wei Wu, Nuno Maulide, Michael Sanguinetti, Anna Stary-Weinzinger	Toward a Structural View of hERG Activation by the Small-Molecule Activator ICA-105574.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
25	Jae Yong Ryu, Mi Young Lee, Jeong Hyun Lee, Byung Ho Lee, Kwang-Seok Oh	DeepHIT: a deep learning framework for prediction of hERG-induced cardiotoxicity.	Bioinform.	2020	DBLP DOI BibTeX RDF
25	Hyang-Mi Lee, Myeong-Sang Yu, Sayada Reemsha Kazmi, Seong Yun Oh, Ki-Hyeong Rhee, Myung-Ae Bae, Byung Ho Lee, Dae-Seop Shin, Kwang-Seok Oh, Hyithaek Ceong, Donghyun Lee, Dokyun Na	Computational determination of hERG-related cardiotoxicity of drug candidates.	BMC Bioinform.	2019	DBLP DOI BibTeX RDF
25	Thierry Hanser, Fabian P. Steinmetz, Jeffrey Plante, Friedrich Rippmann, Mireille Krier	Avoiding hERG-liability in drug design via synergetic combinations of different (Q)SAR methodologies and data sources: a case study in an industrial setting.	J. Cheminformatics	2019	DBLP DOI BibTeX RDF
25	Jieying Hu, Ming Huang 0002, Naoaki Ono, Ye Chen-Izu, Leighton T. Izu, Shigehiko Kanaya	Cardiotoxicity Prediction Based on Integreted hERG Database with Molecular Convolution Model.	BIBM	2019	DBLP DOI BibTeX RDF
25	Vishal B. Siramshetty, Qiaofeng Chen, Prashanth Devarakonda, Robert Preissner	The Catch-22 of Predicting hERG Blockade Using Publicly Accessible Bioactivity Data.	J. Chem. Inf. Model.	2018	DBLP DOI BibTeX RDF
25	Dominic G. Whittaker, Jules C. Hancox, Henggui Zhang	Modelling the Effects of Propafenone on Human Atrial Patho-Electrophysiology Associated With hERG-Linked Short QT Syndrome. (PDF / PS)	CinC	2018	DBLP DOI BibTeX RDF
25	Cunjin Luo, Linghua Li, Tong Liu, Kuanquan Wang, Xiangyun Bai, Ying He 0004, Henggui Zhang	Effects of the β-Adrenoceptor Blocker Carvedilol in Short QT Syndrome Caused by N588K Mutation in hERG: A Simulation Study. (PDF / PS)	CinC	2018	DBLP DOI BibTeX RDF
25	Johan De Bie, Brian Chiu, David W. Mortara, Cristiana Corsi, Stefano Severi	Quantification of hERG Block from the ECG. (PDF / PS)	CinC	2017	DBLP DOI BibTeX RDF
25	Remigijus Didziapetris, Kiril Lanevskij	Compilation and physicochemical classification analysis of a diverse hERG inhibition database.	J. Comput. Aided Mol. Des.	2016	DBLP DOI BibTeX RDF
25	Swapnil Chavan, Ahmed Abdelaziz, Jesper G. Wiklander, Ian A. Nicholls	A k-nearest neighbor classification of hERG K+ channel blockers.	J. Comput. Aided Mol. Des.	2016	DBLP DOI BibTeX RDF
25	Patric Schyman, Ruifeng Liu, Anders Wallqvist	General Purpose 2D and 3D Similarity Approach to Identify hERG Blockers.	J. Chem. Inf. Model.	2016	DBLP DOI BibTeX RDF
25	Michelangelo Paci, Elisa Passini, Stefano Severi, Jari A. K. Hyttinen, Blanca Rodríguez	A Population of In Silico Models to Face the Variability of Human Induced Pluripotent Stem Cell-derived Cardiomyocytes: the hERG Block Case Study. (PDF / PS)	CinC	2016	DBLP BibTeX RDF
25	Jadel M. Kratz, Daniela Schuster, Michael Edtbauer, Priyanka Saxena, Christina E. Mair, Julia Kirchebner, Barbara Matuszczak, Igor Baburin, Steffen Hering, Judith M. Rollinger	Experimentally Validated hERG Pharmacophore Models as Cardiotoxicity Prediction Tools.	J. Chem. Inf. Model.	2014	DBLP DOI BibTeX RDF
25	Christopher E. Dempsey, Dominic Wright, Charlotte K. Colenso, Richard B. Sessions, Jules C. Hancox	Assessing hERG Pore Models As Templates for Drug Docking Using Published Experimental Constraints: The Inactivated State in the Context of Drug Block.	J. Chem. Inf. Model.	2014	DBLP DOI BibTeX RDF
25	Dongping Du, Hui Yang 0003, Sarah A. Norring, Eric S. Bennett	In-Silico Modeling of Glycosylation Modulation Dynamics in hERG Ion Channels and Cardiac Electrical Signals.	IEEE J. Biomed. Health Informatics	2014	DBLP DOI BibTeX RDF
25	Charlotte K. Colenso, Richard B. Sessions, Yi H. Zhang, Jules C. Hancox, Christopher E. Dempsey	Interactions between Voltage Sensor and Pore Domains in a hERG K+ Channel Model from Molecular Simulations and the Effects of a Voltage Sensor Mutation.	J. Chem. Inf. Model.	2013	DBLP DOI BibTeX RDF
25	Giovanni Paolo Di Martino, Matteo Masetti, Luisa Ceccarini, Andrea Cavalli, Maurizio Recanatini	An Automated Docking Protocol for hERG Channel Blockers.	J. Chem. Inf. Model.	2013	DBLP DOI BibTeX RDF
25	Paul Czodrowski	hERG Me Out.	J. Chem. Inf. Model.	2013	DBLP DOI BibTeX RDF
25	Anna Glinka, Sebastian Polak	An analysis of cardiomyocytes' electrophysiology in the presence of the hERG gene mutations.	Bio Algorithms Med Syst.	2013	DBLP DOI BibTeX RDF
25	Peter Schmidtke, Ciantar Marine, Isabelle Theret, Pierre Ducrot	Towards a complete structure of the hERG channel.	J. Cheminformatics	2013	DBLP DOI BibTeX RDF
25	Bo-Han Su, Yi-shu Tu, Emilio Xavier Esposito, Yufeng J. Tseng	Predictive Toxicology Modeling: Protocols for Exploring hERG Classification and Tetrahymena pyriformis End Point Predictions.	J. Chem. Inf. Model.	2012	DBLP DOI BibTeX RDF
25	Richard Marchese Robinson, Robert C. Glen, John B. O. Mitchell	Winnow based identification of potent hERG inhibitors in silico: comparative assessment on different datasets.	J. Cheminformatics	2012	DBLP DOI BibTeX RDF
25	Lei Du-Cuny, Lu Chen, Shuxing Zhang	A Critical Assessment of Combined Ligand- and Structure-Based Approaches to hERG Channel Blocker Modeling.	J. Chem. Inf. Model.	2011	DBLP DOI BibTeX RDF
25	Haretsugu Hishigaki, Satoru Kuhara	hERGAPDbase: a database documenting hERG channel inhibitory potentials and APD-prolongation activities of chemical compounds.	Database J. Biol. Databases Curation	2011	DBLP DOI BibTeX RDF
25	Sebastian Polak, Barbara Wisniowska, Malidi Ahamadi, Aleksander Mendyk	Prediction of the hERG potassium channel inhibition potential with use of artificial neural networks.	Appl. Soft Comput.	2011	DBLP DOI BibTeX RDF
25	Ismail Adeniran, Mark J. McPate, Harry J. Witchel, Jules C. Hancox, Henggui Zhang	Increased Vulnerability of Human Ventricle to Re-entrant Excitation in hERG-linked Variant 1 Short QT Syndrome.	PLoS Comput. Biol.	2011	DBLP DOI BibTeX RDF
25	George Papadatos, Muhammad Alkarouri, Valerie J. Gillet, Peter Willett 0002, Visakan Kadirkamanathan, Christopher N. Luscombe, Gianpaolo Bravi, Nicola J. Richmond, Stephen D. Pickett, Jameed Hussain, John Pritchard, Anthony W. J. Cooper, Simon J. F. Macdonald	Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity.	J. Chem. Inf. Model.	2010	DBLP DOI BibTeX RDF
25	Bo-Han Su, Meng-yu Shen, Emilio Xavier Esposito, Anton J. Hopfinger, Yufeng J. Tseng	In Silico Binary Classification QSAR Models Based on 4D-Fingerprints and MOE Descriptors for Prediction of hERG Blockage.	J. Chem. Inf. Model.	2010	DBLP DOI BibTeX RDF
25	Barbara Wisniowska, Aleksander Mendyk, Milosz Polak, Jakub Szlek, Sebastian Polak	RandomForest Based Assessment of the hERG Channel Inhibition Potential for the Early Drug Cardiotoxicity Testing.	Bio Algorithms Med Syst.	2010	DBLP BibTeX RDF
25	Barbara Wisniowska, Aleksander Mendyk, Milosz Polak, Jakub Szlek, Sebastian Polak	RandomForest based assessment of the hERG channel inhibition potential for the early drug cardiotoxicity testing.	Bio Algorithms Med Syst.	2010	DBLP BibTeX RDF
25	Luca A. Fenu, Ard Teisman, Stefan S. De Buck, Vikash K. Sinha, Ron A. H. J. Gilissen, Marjoleen J. M. A. Nijsen, Claire E. Mackie, Wendy E. Sanderson	Cardio-vascular safety beyond hERG: in silico modelling of a guinea pig right atrium assay.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF
25	Katja Hansen, Fabian Rathke, Timon Schroeter, Georg Rast, Thomas Fox, Jan M. Kriegl, Sebastian Mika	Bias-Correction of Regression Models: A Case Study on hERG Inhibition.	J. Chem. Inf. Model.	2009	DBLP DOI BibTeX RDF
25	Britta Nisius, Andreas H. Göller	Similarity-Based Classifier Using Topomers to Provide a Knowledge Base for hERG Channel Inhibition.	J. Chem. Inf. Model.	2009	DBLP DOI BibTeX RDF
25	Sebastian Polak, Barbara Wisniowska, Malidi Ahamadi, Aleksander Mendyk	Prediction of the hERG Potassium Channel Inhibition Potential with Use of the Artificial Neural Networks.	WSC	2009	DBLP DOI BibTeX RDF
25	Matteo Masetti, Andrea Cavalli, Maurizio Recanatini	Modeling the hERG potassium channel in a phospholipid bilayer: Molecular dynamics and drug docking studies.	J. Comput. Chem.	2008	DBLP DOI BibTeX RDF
25	Claire L. Gavaghan, Catrin Hasselgren Arnby, Niklas Blomberg, Gert Strandlund, Scott Boyer	Development, interpretation and temporal evaluation of a global QSAR of hERG electrophysiology screening data.	J. Comput. Aided Mol. Des.	2007	DBLP DOI BibTeX RDF
25	David J. Diller, Doug W. Hobbs	Understanding hERG inhibition with QSAR models based on a one-dimensional molecular representation.	J. Comput. Aided Mol. Des.	2007	DBLP DOI BibTeX RDF
25	Katsumi Yoshida, Tomoko Niwa	Quantitative Structure-Activity Relationship Studies on Inhibition of HERG Potassium Channels.	J. Chem. Inf. Model.	2006	DBLP DOI BibTeX RDF
25	Minghu Song, Matthew Clark 0001	Development and Evaluation of an in Silico Model for hERG Binding.	J. Chem. Inf. Model.	2006	DBLP DOI BibTeX RDF