Computer-Aided Drug Development: Theory and Applications

Thi book is a comprehensive and student-friendly textbook designed especially for B.Pharm students and aspiring pharmaceutical scientists. This book serves as a practical guide to the powerful world of computer applications in pharmacy, covering every critical phase from drug discovery to clinical development and regulatory submissions.

Beginning with the historical evolution of computers in pharmaceutical research, the book journeys through topics like computer-aided drug design (CADD), computational pharmacokinetics and pharmacodynamics (PK/PD), biopharmaceutical characterization, and computer simulations in clinical research. Advanced fields such as artificial intelligence (AI), robotics, and computational fluid dynamics (CFD) in drug development are also expertly introduced, making this text one of the few to bridge theory with real-world applications.

Following Quality-by-Design (QbD) principles and modern modeling approaches, the book teaches students how to leverage tools like Design-Expert, GastroPlus™, NONMEM, and other simulation platforms used in industry and academia.

Through clear explanations, step-by-step examples, review questions, and case studies, readers will gain a strong understanding of:

Computer-aided formulation development
Drug absorption, distribution, metabolism, and excretion modeling (ADME)
Clinical trial data management using computerized systems

Optimization of drug delivery using CFD simulations