This collection encompasses a broad range of topics related to drug design and discovery, covering methodologies like quantitative structure-activity relationship (QSAR), molecular docking, and artificial intelligence applications. It discusses the complexities of drug development, including the significance of combinatorial chemistry, bioisosterism, and the multi-disciplinary nature of this field. The documents highlight challenges such as drug resistance, and they delve into novel strategies for drug formulation and optimization, with a focus on improving therapeutic efficacy and safety.