Predictive Computational Toxicology

Predicting how chemicals and nanomaterials move through biological systems.

We integrate mechanistic modeling, quantitative toxicology, and artificial intelligence to connect exposure with internal dose, biological interactions, and health-relevant outcomes.

Chemical structures, neural inference, mechanistic dosimetry and concentration–time predictionThree skeletal chemical structures, including aromatic rings and a branched chain, feed a small three-layer neural network. Inferred parameters connect to a central PBPK compartment model labeled Blood, Liver, Kidney, and Target tissue, with shared supply and return paths. A plot on the right shows two illustrative concentration–time curves. Chemical examples and curves are conceptual, not compound-specific validated predictions.BloodLiverKidneyTargettissue

About Us

At UCR, the Chou Lab develops computational and mechanistic approaches to understand how chemicals, nanomaterials, and therapeutic delivery systems move through biological systems and influence health-relevant outcomes.

Our lab is based in the Department of Environmental Sciences in the College of Natural & Agricultural Sciences at the University of California, Riverside. Dr. Chou is also affiliated with the Environmental Toxicology Graduate Program.

Research Areas

We develop mechanistic and AI-enabled approaches to connect environmental exposure and therapeutic delivery with internal dose, biological interactions, and health-relevant outcomes.

Mechanistic Biological Modeling for Next-Generation Risk Assessment

Translate environmental exposure into internal and target-tissue dose using PBPK/PBTK, IVIVE/QIVIVE, and human-relevant risk assessment.

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AI-Enabled Predictive Toxicology

Integrate machine learning with mechanistic and experimental evidence to predict toxicokinetics, toxicity, and chemical behavior when data are sparse.

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Nano-Bio Interactions & Nanomedicine

Determine how biological identity and nano-bio interactions control nanoparticle fate, tissue distribution, therapeutic delivery, and off-target exposure.

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Biomaterials & Regional Drug Delivery

Determine how material properties, release kinetics, and administration strategies shape target-tissue exposure and biological response.

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