12–17 Jul 2026
University of Graz
Europe/Vienna timezone

Quantitative parameter free methods for toxicokinetics

16 Jul 2026, 10:40
20m
11.33 - SR (University of Graz)

11.33 - SR

University of Graz

34
Contributed Talk Numerical, Computational, and Data-Driven Methods Contributed Talks

Speaker

Inzish Sajid (University of Reading, United Kingdom)

Description

Pharmacology and toxicology studies often use compartmental ordinary differential equation (ODE) mathematical models to understand how a chemical compound distributes and exerts its effects throughout the body. Such models require experimental data to inform parameterisation. However, such data is often costly and not always available and thus we need to identify new ways to parameterise such ODE models under data-limited conditions - the aim of this work is to address this challenge. In this talk, I will explain a novel methodology that can be effectively used to parameterise biologically based ODE models. It involves a stepwise approach, including: generating stochastic Petri net (SPN) qualitative data; scaling the qualitative SPN data into quantitative synthetic data; and using this synthetic data to obtain model parameters and their associated distributions. I will demonstrate this methodology against case examples to illustrate its feasibility and reliability, including a model for the regulation of thyroid hormone levels in the brain. I will also describe troubleshooting methods to improve accuracy of this approach, including: varying the number of initial Petri Net tokens; deploying a scaling approach; and how to flex according to the nature of the experimental data provided. Through this exploration, I will illustrate how you can enhance the robustness and precision of this methodology when applied to more complex systems.

Authors

Inzish Sajid (University of Reading, United Kingdom) Marcus Tindall (University of Reading) Steven Webb (Syngenta, Jealott’s Hill International Research Center)

Co-authors

Courtney Thompson (Syngenta, Jealott’s Hill International Research Center) Joseph Leedale (Syngenta, Jealott’s Hill International Research Center) Peter Sweby (University of Reading) Zuowei Wang (University of Reading)

Presentation materials

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