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The rapid advancement of computational technologies has revolutionized drug discovery and development, enabling researchers to design and optimize pharmaceutical compounds with unprecedented precision and efficiency. Computer-Aided Drug Development is a comprehensive textbook that explores the theoretical foundations, methodologies, and applications of computational tools in modern drug discovery. The primary objective of this textbook is to bridge the gap between computational theory and practical applications. It introduces readers to essential computational tools and software, demonstrating their real-world relevance through case studies and industry applications. By integrating fundamental concepts with cutting-edge advancements, this book aims to equip readers with the knowledge and skills required to harness computational methods for efficient and cost-effective drug development.