Brainspheres_Amiodarone

This repository describes the model of in vitro kinetics of amiodarone in a repeated exposure assay with human iPSC-based Brainspheres. The model was used and descrbed in the paper : "Integrating distribution kinetics and toxicodynamics to assess repeat dose neurotoxicity in vitro using human BrainSpheres: A case study on amiodarone". Its consists in compartmental model which rates were fit to experimental data of amiodarone in the medium, plastic and cells in time. The repository consists of: 1- file with the model and experimental data of quantity of amiodarone measured in the different compartments 2-fie with the error function and optimization routine 3-Rmarkdown for ploting the models simulations with fit parameters against experimental data 4-file to calculate the Cmax and AUC for all the doses used experimentally to make the dose-response curves