Description:
This course focuses on QSAR (Quantitative Structure-Activity Relationship) modeling, an essential tool in computational drug discovery for predicting the biological activity and toxicity of compounds. Students will explore both the theoretical principles and practical implementations of QSAR models, with a case study showcasing how QSAR helped improve a drug candidate’s safety profile.
Learning Outcomes:
By the end of this course, learners will be able to:
Understand the theoretical basis of QSAR models in predicting biological activity and toxicity.
Build and validate QSAR models using computational tools like MOE and Schrödinger.
Apply QSAR modeling in a case study to predict the activity and toxicity of a drug candidate.