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Computer Simulations in Pharmaceutical, v1 by Kiran Gangarapu

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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.

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,Computer Simulations in the
Pharmaceutical Industry
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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