This course introduces the fundamentals of in silico techniques in drug discovery, providing a gateway to understanding how computational methods accelerate the search for potential drug candidates. Beginning with an overview of core principles in in silico drug design, students will explore key concepts in computer-aided drug design (CADD) and learn how these approaches contribute to the drug discovery pipeline. The course covers essential topics such as ADME-Tox profiling (Absorption, Distribution, Metabolism, Excretion, and Toxicity) and drug-likeness prediction, which help determine a compound’s suitability as a drug candidate. Through practical, hands-on sessions, participants will work with ADME-Tox and drug-likeness prediction tools to gain experience in evaluating the pharmacokinetic properties and potential efficacy of molecules. Designed for beginners in drug discovery and computational biology, this course provides the foundational skills needed to understand and apply in silico methodologies effectively in real-world drug development contexts.

• Introduction
• Key Concepts in In Silico Drug Design
• Computer-Aided Drug Design approaches 
• ADME-Tox Profiling
• Drug-Likeness Prediction
• Hands-on ADME-Tox Prediction & Drug Likeness tools