Working example of calibration of qAOP for mitochondrial toxicity based on data for rotenone in HepG2 and LHUMES cells
Creators
- 1. Ineris
- 2. Universität Konstanz
- 3. Vrije Universiteit Amsterdam
- 4. Leiden Amsterdam Centre for Drug Research
Description
This zip file contains the code and data for calibrating a qAOP for mitochondrial toxicity on rotenone, in liver and neuronal cells, as well as some examples of output.
# Folder structure
\data
in vitro datasets for rotenone and deguelin in liver (HepG2) cells
in vitro datasets for rotenone and deguelin and 8 other chemicals in neuronal (LHUMES) cells
\images
output folder for the figures produced. Contents can be deleted or will be overwritten by new calibrations.
\scripts
functions used during calibration.
\stan_code
Stan model files. Contain the qAOP equations and prior distributions of parameters.
\stan_fit
output folder for the calibration files of stanFit files with posterior distributions of parameters. Contains results of a previous calibration.
The root of the folder contains the .R scripts for running calibration and .Rmd scripts for analysing results. The .html files show the results of a previous calibration.
Files
code_paper_qAOP_mitotoxicity.zip
Files
(236.4 MB)
| Name | Size | Download all |
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md5:6a8cd22dad2b4c5a63383c9fc730f78d
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