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In Silico Models of Organ-Specific Effects
Citation:
Knudsen, T. In Silico Models of Organ-Specific Effects. FutureTox V, Chapel Hill, NC, May 10 - 11, 2022. https://doi.org/10.23645/epacomptox.19798831
Impact/Purpose:
Presentation to the FutureTox V (SOT) Conference focusing on New Technologies to Evaluate Organ-Specific Effects of Drugs and Chemicals May 2022
Description:
New Approach Methodologies (NAMs) for toxicity assessment that are based largely on in vitro data and in silico models provide a path forward to animal-free testing of the potential for predictive toxicity. A major science challenge is translating complex data and information into predictive models for human toxicity. For predictive toxicology, this means virtually extrapolating data from in vitro studies with human stem cells and related systems into adverse outcome(s) of relevance to regulatory decision-making. Computational agent-based models (ABM) of morphogenetic systems have distinct advantages for this purpose. ABMs offer unparalleled flexibility for multiscale modeling of tissue dynamics. Nature-inspired agents (cells) and rules (behaviors) are set into motion with soft-computing. Fuzzy logic is utilized to simulate forces or properties governing cell fate and behavior where rules are inexact or knowledge incomplete. ABMs can change course in response to a specific situation or stimulus from genetic and/or environmental cues from real world data such as in vitro high-throughput screening (HTS) yielding a probabilistic rendering of where, when and how a particular condition might lead to an adverse developmental outcome (cybermorphs). Opening the black-box of predictive toxicolohgy with computational intelligence comes with key challenges for science and technology development. Does not reflect Agency policy.
URLs/Downloads:
DOI: In Silico Models of Organ-Specific Effects
KNUDSEN_FT5_2022_V2_M.PDF (PDF, NA pp, 5979.968 KB, about PDF)