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Quantitative Structure Activity Relationships

Computational Tools and Modeling MethodologiesΒΆ

In our toxicological research, we make use of many computational tools and approaches, several of which are listed below.

Biochemical Reaction Network Modeling
Research on an in silico approach that can predict the chemical structures of the metabolites of one or a mixture of chemicals, generate the metabolic pathways, and interconnect these pathways through metabolites in common.
Physiologically Based Pharmacokinetic Modeling
Research involving a special type of pharmacokinetics where physiology and anatomy of the animal or human body, and the biochemistry of the chemical or chemicals of interest, are incorporated into a conceptual model for computer simulation.
Clonal Growth Modeling
Research into how two- and multi-stage carcinogenesis models can be used to study the way in which cell replication and mutation influence preneoplastic and neoplastic foci incidence and development.