Computer Simulations in the Pharmaceutical Industry

Volume 1

240 Seiten, Hardcover

Kurzbeschreibung des Verlags

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.

• Themen: Technologie, Ingenieurswissenschaft, Landwirtschaft, Industrieprozesse Industrielle Chemie und Fertigungstechnologien Industrielle Chemie und Chemietechnologie Pharmazeutische Chemie und Technologie
• ISBN: 9781041128380
• Sprache: Englisch
• Erscheinungsdatum: 23.08.2026
• Größe: 254 x 178 mm
• Verlag: CRC Press
• Herausgegeben von: Prabhakar Reddy Veerareddy, Kiran Gangarapu