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GrowBag graphs for keyword ? (Num. hits/coverage)
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Results
Found 65 publication records. Showing 65 according to the selection in the facets
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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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