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. 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 descripti…
Workflows for prediction of inhalation toxicokinetics from chemical structure including the individual steps in the training and optimization of QSPR models, model selection and prediction of partition coefficients, applicability domain and toxicokinetics profile.
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