Multiscale modelling approaches for assessing cosmetic ingredients safety

Area of Science:

• Toxicology
• Computational Biology
• Pharmacokinetics

Background:

• The European Union's ban on animal testing for cosmetics drives innovation in alternative methods.
• In silico and in vitro approaches are crucial for assessing cosmetic ingredient and product safety.
• The COSMOS project focuses on developing predictive models for toxicological endpoints.

Purpose of the Study:

• To present the main models and results from the COSMOS project on in silico and in vitro alternatives.
• To demonstrate the integration of multiscale pharmacokinetic modeling with in vitro data.
• To highlight the complementary nature of mathematical modeling and experimental assays.

Main Methods:

• Organelle and cellular level analysis.
• Continuous monitoring of cell-level effects.
• Development of multiscale physiologically based pharmacokinetic and effect models.
• Route-to-route extrapolation techniques.
• Automated KNIME workflows for model dissemination and usability.

Main Results:

• Successful application of multiscale pharmacokinetic modeling for predicting kinetics and toxic effects.
• Integration of in vitro data to enhance predictive accuracy.
• Development of user-friendly workflows for accessing and utilizing the models.
• Identification of challenges in handling large datasets and complex computations.

Conclusions:

• In silico and in vitro methods are complementary and essential for cosmetic safety assessment.
• The COSMOS project provides valuable tools and insights for regulatory science.
• Further advancements are needed to address computational and data management challenges in predictive toxicology.