This project repository is connected to the journal article ‘A Novel Multi-Species Toxicokinetic Modeling Approach in Support of Chemical Risk Assessment’ by Mangold-Döring et al. 2021 (https://doi.org/10.1021/acs.est.1c02055). The key element of this repository is the Jupyter Notebook with the model code (Multi-species-PBTK-model.ipynb), in which you will find a more detailed description of instructions and its function.
Furthermore, this repository contains:
Derive-parameter-distributions.ipynb : Jupyter notebook to derive statistical underlying parameter distributions
distribution_fitting.py : Module for fitting the statistical underlying distributions
mySQL_PBTK.py : Module to load data out of the mySQL database
config_PBTK.ini : Configuration file for Python-mySQL connector used in mySQL_PBTK.py
pbtk-fishbase.sql : Database of physiological parameters of freshwater fish found in Canada
| Package | Version |
|---|---|
| numpy | 1.16.2 |
| pandas | 0.24.2 |
| scipy | 1.2.1 |
| seaborn | 0.9.0 |
| progressbar | 2.5 |
| statsmodels | 0.9.0 |