CE 8: Quantitative Structure–Activity Relationship Demystified: Foundations, Best Practices, Regulatory Use, and Practical Applications

Quantitative Structure-Activity Relationship (QSAR) approaches are integral to modern toxicology. They enable predictive hazard assessment, prioritization, and regulatory decision-making without reliance on animal testing. However, many toxicologists have little experience or hands-on familiarity with how QSAR tools work or how to interpret their results. This CE course provides a structured learning pathway from foundational QSAR principles to standardized modeling and best practices to regulatory application and finally to hands-on implementation. This course will begin by establishing foundational knowledge, including an overview of the scientific principles underlying various QSAR tools and Science Behind Structure-Activity Relationships. After the foundational instruction, the session will move to a forward-looking discussion on implementing QSAR modeling using a standardized, step-by-step workflow and regulatory expectations, with each covering a distinct, non-overlapping layer of QSAR competency. The final 90-minute segment will be a fully interactive, hands-on walkthrough of the OECD QSAR Toolbox, during which participants will practice chemical profiling, analogue selection, and the execution of a regulatory-relevant read-across prediction. In summary, this session is intended to provide both informative and practical training. Designed for scientists at all experience levels, this course emphasizes transparency, reproducibility, and real-world regulatory application. Attendees will leave with a clear understanding of QSAR principles, knowledge of best-practice modeling pipelines, insight into how regulators evaluate QSAR predictions, and practical skills to apply OECD QSAR Toolbox workflows in their own safety assessments.

CE Course Chair: Chandrakant Patel, MSc, MBA, DABT – JRF Global
CE Course Chair: Ricardo Scheufen Tieghi, BS – National Institutes of Health
CE Course Speaker: Alexandre Borrel, PhD – Sciome
CE Course Speaker: Shagun Krishna, PhD – PCRM