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Computational Toxicology Research

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Motivation & Goals

v-Liverâ„¢ is using a wide-range of computational modeling including development of physiologic models of organ-level dosimetry and models of networks to reach the research goals of this project. Computational modeling is used extensively in biology and toxicology and is extremely challenging. This research project strives to overcome these challenges of determining the complex relationships between molecular changes and phenotypic outcomes.

Research Project Goals:

  • Utilize available evidence in toxicology to predict actions of chemicals
  • Estimate risk of liver injury in humans using in vitro data
  • Proof of concept: Investigate the effects of 20 every day contaminants
  • Reduce dependence on animal testing

Research Project Components:

  • Knowledgebase - Mapping Toxicological Processes: Curation of mechanistic knowledge about non-genotoxic cancer in rodents and humans and formally describing species differences. Use curation to develop an initial dynamic database of literature.
  • Systems Model - Estimating Dose-Dependent Toxicity: Estimate dose and time dependent effects of chemicals using in vitro data. This is a systems model of liver function that integrates physiologically based pharmacokinetic modelling (PBPK), cellular systems and molecular networks to simulate in vivo effects of chemicals.


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