Session 04: Modernising Approaches to Safety Assessment through Use of In Silico Approaches in Decision-making[Symposium Program （Session）]
In silico/computational approaches can provide useful information to inform chemical safety assessment. These methods are being increasingly used across all sectors for internal decision-making and there are moves towards application within a regulatory context. These approaches have the potential to decrease the current reliance on traditional toxicity testing in animals (e.g. through use for screening and/or prioritization) but can also be used to inform and/or improve studies that may still need to be conducted in animals (e.g. to inform dose or species selection). In silico approaches are higher-throughput and less resource-intensive and therefore are associated with reduced animal use. They can also increase testing and predictive capacity to improve safety assessments. This session will showcase collaborative examples of how developers and industry-users have worked together to increase confidence in, and acceptance of, in silico-based approaches for safety assessment.
President:
NO.:1
Opportunities for the use if in silico NAMS within next generation risk assessment of cosmetic ingredients
NO.:2
Development of in silico tools based on curated toxicological databases
NO.:3
An end-user perspective on supporting the development of a QSAR model to predicts human respiratory irritancy of single compounds and mixtures
NO.:4
Drug safety and efficacy evaluation using AI-informed modelling & simulation
Session 10: PARC – New Approaches to Model Kinetic Properties[Symposium Program （Session）]
The PARC project (Partnership for the Assessment of Risks from Chemicals) aims to close data and knowledge gaps for priority compounds by developing NAM based assessments. The understanding of the absorption, distribution, metabolism and excretion of xenobiotic compounds a central assessment element in vitro to in vivo extrapolation and therefore of high importance for next generation risk assessment. Organised in four presentations, the symposium will provide insights into physiological based kinetic modelling approaches, which will evaluate the kinetic properties of Alternaria toxins and enniatins. To date, there are no PBK models for these emerging mycotoxins in any species. The talk will present a first modelling attempt using in vitro and in silico data (NAMS). It will discuss how bottom-up PBK modelling, as presented here, will facilitate the scientific community to adopt alternative ways to improve the assessment of ADME, whether common or specific to each of these toxins.
- develop a tiered testing strategy for volatile compounds. Different in vitro barrier models will be compared to model their absorption within the different regions of the respiratory tract.
- assess the impact of the human microbiome on the biotransformation of chemicals and their uptake into the systemic circulation.
President:
NO.:1
A tiered testing strategy to assess absorption of volatile compounds
NO.:2
First physiologically based modeling of Alternaria toxins
NO.:3
Quantifying the gut microbiome’s impact on toxicokinetics by physiologically based kinetic (PBK) modeling
NO.:4
PBK model-based QIVIVE for a NAMs based assessment of emerging mycotoxins
