Environmental and Computational Toxicology

Environmental Toxicology

Environmental toxicology examines the harmful effects of various chemical, biological and physical agents on living organisms at molecular, cellular, organism and population levels. This involves the adverse effects of environmental pollutants in air, soil, and water, and includes both natural and anthropogenic agents.

Our faculty has extensive expertise in both aquatic and pulmonary toxicology with a focus on phthalates, PFAS, nanomaterials, asbestos, secondary organic aerosols, PM and metals. Our work focuses on fish and rodent models and human populations and field sampling in both domestic and global environments including Haiti and several countries in Africa. 

Computational Toxicology

Computational Toxicology studies computational approaches to predict toxicokinetics and toxicity of xenobiotics in living organisms at the cellular, organ, individual, and population levels. These computational approaches include physiologically based pharmacokinetic (PBPK), quantitative structure-activity relationship (QSAR), and dose-response models. To build more robust models, we incorporate advanced mathematical methods, such as Bayesian-based Markov chain Monte Carlo (MCMC) simulation, machine learning, and artificial intelligence (AI) algorithms into our models.

Our faculty has extensive expertise in computational toxicology, especially in PBPK modeling of drugs, environmental chemicals, and nanoparticles in laboratory animals, food-producing animals, and humans. We apply our models to support human health risk assessment of environmental chemicals and nanoparticles, and food safety assessment of animal-derived food products, such as meat, milk, and eggs.

Learn more about our faculty members working in environmental and computational toxicology by visiting their profiles below.

Contaminants Affecting Human and Animal Health

“We are continually contaminating our waterways and ecosystem, and it is critical to understand the resultant underlying adverse health endpoints and provide insights into environmentally-induced disease in humans and animals.”

Person wearing a white lab coat and blue gloves adjusting or inspecting a row of blue aquatic tanks in a controlled laboratory environment

Integrating Artificial Intelligence (AI) with Physiologically Based Pharmacokinetic (PBPK) Modeling

“Our goal is to develop AI-assisted computational models to support decision-making in human health, animal health, and environmental health (i.e., one health approach).”

Two individuals seated at a desk working on multiple computer monitors. One screen displays a data visualization with charts and diagrams, while another shows lines of code. A telephone and office supplies are visible on the desk, and a large window with outdoor greenery is in the background