Exploring Computational Pharmaceutics

AI and Modeling in Pharma 4.0

Defang Ouyang

• Publisher: Wiley
• Year: 2024
• Print ISBN: 9781119987130
• eBook ISBN: 9781119987246
• Edition: 1
• Topic: Physical Sciences
• Subtopic: Industrial & Technical Chemistry

Provides an extensive and up-to-date overview of the theory and application of computational pharmaceutics in the drug development process

Exploring Computational Pharmaceutics - AI and Modeling in Pharma 4.0 introduces a variety of current and emerging computational techniques for pharmaceutical research. Bringing together experts from academia, industry, and regulatory agencies, this edited volume also explores the current state, key challenges, and future outlook of computational pharmaceutics while encouraging development across all sectors of the field. Throughout the text, the authors discuss a wide range of essential topics, from molecular modeling and process simulation to intelligent manufacturing and quantitative pharmacology.

Building upon Exploring Computational Pharmaceutics - AI and Modeling in Pharma 4.0, this new edition provides a multi-scale perspective that reveals the physical, chemical, mathematical, and data-driven details of pre-formulation, formulation, process, and clinical studies, in addition to in vivo prediction in the human body and precision medicine in clinical settings. Detailed chapters address both conventional dosage forms and the application of computational technologies in advanced pharmaceutical research, such as dendrimer-based delivery systems, liposome and lipid membrane research, and inorganic nanoparticles.

A major contribution to the development and promotion of computational pharmaceutics, this important resource:

• Discusses the development track, achievements, and prospects of computational pharmaceutics
• Presents multidisciplinary research to help physicists, chemists, mathematicians, and computer scientists locate problems in the field of drug delivery
• Covers a wide range of technologies, including complex formulations for water-insoluble drugs, protein/peptide formulations, nanomedicine, and gene delivery systems
• Focuses on the application of cutting-edge computational technologies and intelligent manufacturing of emerging pharmaceutical technologies
• Includes a systematic overview of computational pharmaceutics and Pharma 4.0 to assist non-specialist readers

Covering introductory, advanced, and specialist topics, Exploring Computational Pharmaceutics - AI and Modeling in Pharma 4.0 is an invaluable resource for computational chemists, computational analysts, pharmaceutical chemists, process engineers, process managers, and pharmacologists, as well as computer scientists, medicinal chemists, clinical pharmacists, material scientists, and nanotechnology specialists working in the field.

Table of contents

• Cover
• Title Page
• Copyright
• Contents
• List of Contributors
• Preface
• Chapter 1 Introduction to Computational Pharmaceutics
• Chapter 2 Opportunities and Challenges of Artificial Intelligence (AI) in Drug Delivery
• Chapter 3 Computational Resources in Pharmaceutics
• Chapter 4 Computational Modeling of Dry Powder Inhalation
• Chapter 5 Molecular Modeling in Drug Delivery: Polymer Protective Coatings as Case Study
• Chapter 6 3D Structural Investigation of Solid Dosage Forms
• Chapter 7 Dissolution Mechanism of Pharmaceuticals and Formulations by Nonequilibrium Thermodynamic Modeling
• Chapter 8 Physiologically Based Pharmacokinetics
• Chapter 9 Molecular Modeling in Drug Delivery
• Chapter 10 Integration of Dendrimer‐Based Delivery Technologies with Computational Pharmaceutics and Their Potential in the Era of Nanomedicine
• Chapter 11 Artificial Intelligence and Computational Modeling in Orally Inhaled Drugs
• Chapter 12 Digital Formulation Development Using 3D Printing Technology: AI and Modeling
• Chapter 13 A Review on Research and Application of Expert Systems on Drug Formulation and Process Design
• Chapter 14 Application of PBPK Modeling in Formulation Development
• Chapter 15 Multiscale Models for Tablet Manufacturing Process Development
• Chapter 16 Machine Learning as a Part of Pharmaceutical Product Development
• Chapter 17 Big Data Analysis of Patents and Their Applications in Biomedical Research and Development
• Chapter 18 Model‐informed Drug Development (MIDD) Regarding Regulatory Requirements and Thinking
• Index
• EULA