This workflow includes Quantitative Structure-Activity Relationship (QSAR) models to predict the hERG-related cardiotoxicity of chemicals.
-
Updated
Jul 21, 2022
This workflow includes Quantitative Structure-Activity Relationship (QSAR) models to predict the hERG-related cardiotoxicity of chemicals.
Collection of experimental protocols in common patch clamp formats for rapid characterisation of ion channels
Tool for building and manipulating Markov models of ion-channel kinetics
Code and figures for "Neural network differential equations for ion channel modelling".
Code for training and validation of ion channel models fitted to sine-wave based voltage clamp data
Code to add a mathematical model of voltage-clamp artefacts to your ion channel simulations
Rapid characterisation of hERG channel kinetics
Source code and data for reproducing "The impact of uncertainty in hERG binding mechanism on in silico predictions of drug-induced proarrhythmic risk".
Master Thesis in AI focusing on TabNet in Drug Discovery
Add a description, image, and links to the herg topic page so that developers can more easily learn about it.
To associate your repository with the herg topic, visit your repo's landing page and select "manage topics."