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ModelsKarim2021 - CardioTox net: Ligand-based prediction of hERG blockade
A robust predictor for hERG channel blockade based on an ensemble of five deep learning models. The authors have collected a dataset from public sources, such as BindingDB and ChEMBL on hERG blockers and non-blockers. The cut-off for hERG blockade was set at IC50 Model Type: Predictive machine lea...
2024-07-18 | MODEL2407180003 | BioModels
Machine Learning Model FAIR-AIML Ersilia 
ModelsKim2022 - BayeshERG: A deep learning model for predicting hERG channel blockers
BayeshERG is a predictor of small molecule-induced blockade of the hERG ion channel. To increase its predictive power, the authors pretrained a bayesian graph neural network with 300,000 molecules as a transfer learning exercise. The pretraining set was obtained from Du et al, 2015, and the fine tun...
2024-08-06 | MODEL2408060001 | BioModels
Machine Learning Model FAIR-AIML Ersilia 
GenomicsEffect of chemical chaperone lumacaftor (VX-809) on gene expression in HEK-293 cells expressing hERG/A561V
Effect of chemical chaperone lumacaftor (VX-809) on gene expression in HEK-293 cells expressing hERG/A561V
PRJNA944609 | ENA
TranscriptomicsEffect of chemical chaperone lumacaftor (VX-809) on gene expression in HEK-293 cells expressing hERG/A561V
To investigate the molecular effect of lumacaftor in the regulation of mutatant hERG protein expression, we established HEK-293 cell lines expressing hERG/A561V, 15μM lumacaftor treatment as experimental group (HAL) and DMSO treatment (HA) as control group. We then performed gene expression profilin...
ORGANISM(S): Homo sapiens 
2025-03-12 | GSE227304 | GEO
ModelsJiménez-Luna2021 - Coloring molecules for for hERG blockade
By combining a Message-Passing Graph Neural Network (MPGNN) and a Forward fully connected Neural Network (FNN) with an integrated gradients explainable artificial intelligence (XAI) method, the authors developed MolGrad and tested it on a number of Pharmacokinetics predictive tasks with cardiotoxici...
2024-05-21 | MODEL2405210007 | BioModels
Machine Learning Model FAIR-AIML Ersilia 
UnknownModels of HERG gating.
Not available
S-EPMC3145286 | biostudies-literature
UnknownAn Update on the Structure of hERG.
Not available
S-EPMC6992539 | biostudies-literature
UnknownHysteretic hERG channel gating current recorded at physiological temperature.
Not available
S-EPMC8993916 | biostudies-literature
UnknownPhysiological properties of hERG 1a/1b heteromeric currents and a hERG 1b-specific mutation associated with Long-QT syndrome.
Not available
S-EPMC2761010 | biostudies-literature
UnknownSupport Vector Machine model for hERG inhibitory activities based on the integrated hERG database using descriptor selection by NSGA-II.
Not available
S-EPMC6704061 | biostudies-literature
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