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Computer Simulations in the Pharmaceutical Industry: Volume 1
Hardcover
Series: Drugs and the Pharmaceutical Sciences
Medical ReferenceTechnology & Engineering
ISBN13: 9781041128380
Publisher: CRC Press
Published: Aug 23 2026
Pages: 240
Weight: 1.45
Height: 0.63 Width: 7.00 Depth: 10.00
Language: English
The application of computational modeling and simulation has extended beyond PK/PD prediction of clinical trial outcomes by defining regulatory strategy as well as optimization of therapeutic candidates. Further, regulatory agencies are accepting modeling and simulation for approval in special populations, drug-drug interactions, and dosing regimen changes. This volume provides a comprehensive coverage of drug design, chemoinformatics, molecular modeling, and computer-aided formulation development. Computer simulations play a crucial role in the pharmaceutical industry, accelerating drug discovery and development by predicting drug behavior and optimizing systems, thus reducing the need for animal testing.
Key Features
- Illustrates how computer simulations play a crucial role in the pharmaceutical industry, accelerating drug discovery and development.
- PK/PD simulations play a crucial role in optimizing dosing regimens and understanding the time course of drug effects.
- Depicts the role of computers in drug research development, both in clinical and preclinical stage by citing examples of approved FDA drugs.
- Provides case studies detailing the step-by-step process for using software such as Python for programming in the pharmaceutical industry; Gromacs, DataWarrior, AutoDock and Biovia.
- Discusses how artificial intelligence and machine learning can be used to optimize and refine simulation models.
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