Events

Opportunities and Challenges of Physiologically Based Kinetic Model-based Quantitative In Vitro to In Vivo Extrapolation in a Next Generation Risk Assessment Paradigm

Hosted by: The SOT Risk Assessment and Biological Modeling Specialty Sections

Speaker:
Nynke I. Kramer, PhD, Toxicology Chair Group, Wageningen University, Wageningen, The Netherlands

Physiologically based kinetic (PBK) model-based quantitative in vitro-in vivo extrapolation (QIVIVE) links in vitro effect concentrations to human bioequivalent external doses, making it central to next generation risk assessment (NGRA) and the move away from animal testing. Generic, population-based PBK modelling platforms are a welcome development, as they streamline and standardize QIVIVE for NGRA by providing ready-to-use, quality-controlled model structures and physiological databases, enabling rapid simulations across chemicals and populations and facilitating easier review and regulatory uptake. Yet their implementation still faces several important scientific bottlenecks, including poor prediction of the kinetics of chemicals that are lipophilic, are transporter substrates or undergo enterohepatic circulation. This RASS/BMSS webinar presents research on PBK model-based QIVIVE from three research programmes, the Dutch VHP4Safety project, the EU Horizon Europe PARC partnership and the EU Horizon 2020 ONTOX project, which together aim to tackle these bottlenecks. Case studies focus on (developmental) neurotoxicity and nephrotoxicity and include organophosphate pesticides, per- and polyfluoroalkyl substances (PFAS) and mycotoxins, illustrating the integration of PBK models with (quantitative) adverse outcome pathways and human biomonitoring studies.

Materials:
Webinar Materials

MCSimMod: A Free and Open-Source Tool for Implementation and Application of Pharmacokinetic Models

Hosted by: SOT Biological Modeling Specialty Section

Speaker:
Dustin Kapraun, PhD, US EPA

MCSimMod is a flexible and efficient software tool that can be used for implementation and application of physiologically based pharmacokinetic (PBPK) and other ordinary differential equation (ODE) models. Like acslX, a comparable and well-known (but now defunct) proprietary software tool for working with ODE models, MCSimMod allows one to take advantage of “compiled” code to achieve relatively fast simulation speeds. MCSimMod is unlike acslX, however, in that it is entirely free and open-source software. It is also easy to get started with MCSimMod – one can install the package by entering a single statement at the R command line. (Notably, installation of GNU MCSim software is not required.) Furthermore, the languages that one uses to define models and describe simulations with MCSimMod (i.e., the MCSim model specification language and R, respectively) are already familiar to many in the PBPK modeling community. It is expected that MCSimMod will greatly simplify the processes of developing, applying, and sharing PBPK models.

Materials:
Webinar Materials

A Modular Modeling Ecosystem for Next-Generation Risk Assessment

Hosted by: The Biological Modeling Specialty Section

Speaker:
Marco Siccardi, PhD, ESQlabs

Materials:
Webinar Materials

How Do We Make Cogent Causal Arguments with Adverse Outcome Pathways for Regulatory Risk Assessment?

Hosted by: The SOT Risk Assessment, Biological Modeling, and Ethical, Legal, Forensics, and Societal Issues Specialty Sections

Speaker:
Lyle D. Burgoon, PhD, President and CEO, Raptor Pharm & Tox, Ltd.

Materials:
Webinar Materials

Integrating Machine Learning and Quantitative Structure Activity Relationships Modeling Approaches to Develop AI-assisted Interactive Physiologically Based Pharmacokinetic Modeling Web Dashboard

Hosted by: The SOT Risk Assessment and Biological Modeling Specialty Sections and the SOT American Association of Chinese in Toxicology Special Interest Group

Speaker:
Zhoumeng Lin, PhD, Associate Professor, Department of Environmental and Global Health, University of Florida
Wei-Chun Chou, PhD, Research Assistant Professor, Department of Environmental and Global Health, University of Florida

Materials:
Webinar Recording
Zhoumeng Lin Presentation
Wei-Chun Chou Presentation

A Machine Learning Model for PFAS Toxicokinetic Half-Lives: Enhancing Machine Learning with Biologically-Relevant Descriptors

Hosted by: The SOT Biological Modeling Specialty Section

Speaker:
John Wambaugh, PhD, Research Physical Scientist, US EPA

Materials:
Webinar Recording
Presentation

Generic Pharmacokinetic Models for Mother-to-Offspring Transfer of Chemicals

Hosted by: SOT Risk Assessment Specialty Section and Biological Modeling Specialty Section

Speaker:
Dustin F. Kapraun, PhD, US EPA

Materials:
Webinar Recording
Presentation

Improving Best Practices in Mathematical Modeling

Speaker:
Herbert Sauro, PhD
Professor and Director of Center of Reproducibility
University of Washington, Department of Bioengineering
Seattle, WA

Materials:
Webinar Recording
Presentation

Standardization of PBPK Modeling Practice

Speaker(s):
Cecilia Tan, PhD, US EPA
Paul Schlosser, PhD, US EPA

Materials:
Webinar Recording
Dr. Tan’s Presentation
Dr. Schlosser’s Presentation

Opportunities and Challenges Related to Saturation of Toxicokinetic (TK) Processes: Implications for Risk Assessment

Speaker(s):
Michelle Embry, PhD

Materials:
Webinar Recording
Presentation

Assessing the Impact of Multi-route Co-exposures on Human Variability in Toxicokinetics of Drinking Water Contaminants in Binary and Quaternary Mixtures

Speaker(s):
Mathieu Valcke, PhD
Sami Haddad, PhD

Materials:
Webinar Recording
Presentation

Mathematical models and COVID-19

Speaker(s):
Dr. Ben Lopman

Materials:
Webinar Recording
BMSS Business and Reception
COVID-19 transmission Abstract

Comparison of Various Approaches to AOP Quantification

Speaker(s):
F. Y. Bois
W. Gao
D. Reddyhoff

Materials:
Webinar Recording
Presentation

Migration of AcsIX Model Code to Magnolia

Speaker(s):
Conrad Housand

Materials:
Webinar Recording
Presentation

In Vitro to In Vivo Extrapolation (IVIVE) to Support New Approach Methodologies (NAMs)-based Safety Assessment: A Tiered Approach with a Focus on the Consideration of Kinetics and Metabolism

Speaker(s):
Miyoung Yoon

Materials:
Webinar Recording
Presentation

Quantitative Systems Toxicology as a Tool for Explaining and Predicting Drug-Related Organ Toxicity

Materials:
Webinar Recording (Unavailable)
Presentation

A Liver-centric Multiscale Modeling Framework for Xenobiotics

Speaker(s):
James P. Sluka
Xiao Fu
Maciek Swat
Julio M. Belmonte
Alin Cosmanescu
Sherry Clendenon
John F. Wambaugh
James A. Glazer

Materials:
Webinar Recording (Unavailable)
Presentation

An introduction to PK-Sim: the open source platform for PBPK

Speaker(s):
Andrea Edginton

Materials:
Presentation

There was no recording for this Webinar.

TRA Vitro—Vivo

Speaker(s):
Miyoung Yoon

Materials:
Webinar Recording (Unavailable)
Presentation

Performance Assessment and Translation of Individual or Population Physiologically Based Pharmacokinetic Models from acslX to Berkeley Madonna, MATLAB, and R language.

Speaker(s):
Zhoumeng Lin

Materials:
Webinar Recording (Unavailable)
Presentation

Application of Physiologically-Based Pharmacokinetic Modeling to Explore the Role of Kidney 2 Transporters in Renal Reabsorption of Perfluorooctanoic Acid in the Rat

Materials:
No Recording Available.
No Slides Available.

PharmML-Exchange Format for Models Used in Quantitative System Pharmacology and Pharmacometrics

Speaker(s):
Maciej J. Swat

Materials:
Webinar Recording (Unavailable)
Presentation

Saying I do to the QSAR/PBPK marriage in GastroPlus to predict chemical exposure for safety evaluation

Speaker(s):
John DiBella, MS
Fagen Zhang and Leah Luna

Materials:
Webinar Recording (Unavailable)
Presentation DiBella
Presentation Fagen Zhang and Leah Luna

Biological Modeling Webinar Series: Developing PBPK Models in MATLAB and SimBiology

Materials:
Webinar presentations and recording have been removed at the presenter’s request.

Understanding Dermal Drug Disposition Using TC`AT—A Novel PBPK Model

Materials:
Webinar Recording (Unavailable)
Presentation

PBPK Modelling

Speaker(s):
George Loizou
Drs. Paul Hinderliter and Christopher Ruark
R. Woodrow Setzer

Materials:
Webinar Recording (Unavailable)
George Loizou Presentation
Drs. Paul Hinderliter and Christopher Ruark Presentation
R. Woodrow Setzer Presentation