Description:
In this course, learners will expand their understanding of computational toxicology by diving deeper into QSAR modeling, molecular docking, and regulatory toxicology. The course focuses on intermediate computational methods for risk assessment and toxicity prediction, providing practical knowledge on how to develop and validate QSAR models, and how to perform molecular docking to study the interaction of toxicants with biological targets. The integration of computational methods into regulatory toxicology frameworks (e.g., REACH, EPA) is also a key focus of this course, enabling students to understand how these models are used in real-world regulatory contexts.
Learning Outcomes:
By the end of this course, students will be able to:
Develop and validate QSAR models for predicting the toxicity of chemical compounds.
Perform molecular docking simulations using tools like AutoDock Vina to predict the interaction between toxicants and biological receptors.
Understand the importance of regulatory toxicology frameworks and how computational models support regulatory decisions.
Apply computational methods like Read-Across and Threshold of Toxicological Concern (TTC) to support chemical risk assessments.
Integrate QSAR modeling and molecular docking into chemical risk assessment workflows.