Exploring Computational Pharmaceutics -

Exploring Computational Pharmaceutics (eBook)

AI and Modeling in Pharma 4.0

Defang Ouyang (Herausgeber)

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2024 | 1. Auflage
624 Seiten
Wiley (Verlag)
978-1-119-98725-3 (ISBN)
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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.

Edited by

Dr. Defang Ouyang is Associate Professor, Institute of Chinese Medical Sciences and Faculty of Health Sciences, University of Macau. With more than twenty years of experience in academia and industry, Dr. Ouyang has pioneered the integration of multi-scale modeling, Artificial Intelligence, and Big Data techniques in the field of drug delivery. He developed six approved patents and published two books, several book chapters, and over 100 refereed journal papers.


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.

List of Contributors


  • Johan Bøtker Department of Pharmacy, University of Copenhagen, København, Denmark
  • Alex Bunker Drug Research Program, Division of Pharmaceutical Biosciences, Faculty of Pharmacy, University of Helsinki, Helsinki, Finland
  • Hong Cai State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Macau, China
  • Zeying Cao Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Center for Pharmaceutical Research, Shanghai, China
  • Xizhong Chen Department of Chemical Engineering, School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, Shanghai, China

    and

    Department of Chemical and Biological Engineering, University of Sheffield, Sheffield, UK

  • Senping Cheng Triastek, Inc., Nanjing, Jiangsu, China
  • Jie Dong Xiangya School of Pharmaceutical Sciences, Central South University, Changsha, Hunan, P. R. China
  • Ruihu Du Clinical Pharmacology and Pharmacometrics Office, Drug Clinical Trial Center, Peking University Third Hospital, Beijing, China
  • Ruofei Du Innovation Research Institute of Traditional Chinese Medicine, Shanghai University of Traditional Chinese Medicine, Shanghai, China

    and

    Engineering Research Center of Modern Preparation Technology of Traditional Chinese Medicine, Ministry of Education, Shanghai, China

  • Kai Ge Jiangsu Province Hi‐Tech Key Laboratory for Biomedical Research, School of Chemistry and Chemical Engineering, Southeast University, Nanjing, China
  • Jiawei Hu School of Chemistry and Chemical Engineering, University of Surrey, Guildford, UK
  • Yuanjia Hu State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Macau, China
  • Chenxi Huang Lingang Laboratory, Shanghai, China
  • Yuanhui Ji Jiangsu Province Hi‐Tech Key Laboratory for Biomedical Research, School of Chemistry and Chemical Engineering, Southeast University, Nanjing, China
  • Josef Kehrein Drug Research Program, Division of Pharmaceutical Biosciences, Faculty of Pharmacy, University of Helsinki, Helsinki, Finland

    and

    Soft Matter Chemistry, Department of Chemistry, Faculty of Science, University of Helsinki, Helsinki, Finland

  • Liang Li Department of Chemical Engineering, School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, Shanghai, China
  • Renjie Li Department of Chemical and Biological Engineering, Monash University, Clayton, Australia

    and

    Monash Suzhou Research Institute, Suzhou, China

  • Youyong Li Macao Institute of Materials Science and Engineering, Macau University of Science and Technology, Taipa 999078, Macau SAR, China

    and

    Institute of Functional Nano & Soft Materials (FUNSOM), Soochow University, 199 Ren'ai Road, Suzhou, 215123, Jiangsu, China

  • Xiaoling Li Triastek, Inc., Nanjing, Jiangsu, China

    and

    Department of Pharmaceutics and Medicinal Chemistry, Thomas J. Long School of Pharmacy, University of the Pacific, Stockton, CA, USA

  • Xue Li Yinghan Pharmaceutical Technology (Shanghai) Co. Ltd., Shanghai, China
  • Bo Liu Department of Pharmaceutical Engineering, School of Chemical Engineering and Pharmacy, Wuhan Institute of Technology, Wuhan, China
  • Dongyang Liu Clinical Pharmacology and Pharmacometrics Office, Drug Clinical Trial Center, Peking University Third Hospital, Beijing, China
  • Kai Liu Department of Chemical and Biological Engineering, University of Sheffield, Sheffield, UK
  • Rink‐Jan Lohman School of Pharmacy, The University of Queensland, Woolloongabba, Australia
  • Zheng‐Hong Luo Department of Chemical Engineering, School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, Shanghai, China
  • Anders Ø. Madsen Department of Pharmacy, University of Copenhagen, København, Denmark
  • Hao Miao Department of Chemical and Biological Engineering, Monash University, Clayton, Australia

    and

    Monash Suzhou Research Institute, Suzhou, China

  • Defang Ouyang State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences (ICMS), University of Macau, Macau, China

    and

    Department of Public Health and Medicinal Administration, Faculty of Health Sciences (FHS), University of Macau, Macau, China

  • Preeti Pandey School of Pharmacy, The University of Queensland, Woolloongabba, Australia
  • Haredra Parekh School of Pharmacy, The University of Queensland, Woolloongabba, Australia
  • Raphael Paus Department of Biochemical and Chemical Engineering, Laboratory of Thermodynamics, TU Dortmund, Dortmund, Germany
  • Jukka Rantanen Department of Pharmacy, University of Copenhagen, København, Denmark
  • Gabriele Sadowski Department of Biochemical and Chemical Engineering, Laboratory of Thermodynamics, TU Dortmund, Dortmund, Germany
  • Prasenjit Seal Aerosol Physics Laboratory, Physics Unit, Faculty of Engineering and Natural Sciences, Tampere University, Tampere, Finland
  • Sean Smith National Computational Infrastructure, Australian National University, Canberra, Australia
  • Zhenbo Tong School of Energy and Environment, Southeast University, Nanjing, China

    and

    Southeast University‐Monash University Joint Research Institute, Suzhou, China

  • Timothy Tracy Triastek, Inc., Nanjing, Jiangsu, China

    and

    Tracy Consultants, LLC, Huntsville, AL, USA

  • Karnaker Reddy Tupally School of Pharmacy, The University of Queensland, Woolloongabba, Australia
  • Jiawen Wang Macao Institute of Materials Science and Engineering, Macau University of Science and Technology, Taipa 999078, Macau SAR, China

    and

    Institute of Functional Nano & Soft Materials (FUNSOM), Soochow University, 199 Ren'ai Road, Suzhou, 215123, Jiangsu, China

  • LiGe Wang Department of Smart Manufacturing and Engineering Software, Shandong University, Jinan, China
  • Nannan Wang State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences (ICMS), University of Macau, Macau, China
  • Wei Wang State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences (ICMS), University of Macau, Macau, China
  • Yuzhu Wang Office of Biostatistics and Clinical Pharmacology, Center for Drug Evaluation, National Medical Products Administration, Beijing, China
  • Chuan‐Yu Wu School of Chemistry and Chemical Engineering, University of Surrey, Guildford, UK
  • Lei Wu Triastek, Inc., Nanjing, Jiangsu, China
  • Li Wu Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Center for Pharmaceutical Research, Shanghai, China
  • Tiqiao Xiao Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai, China
  • Jiaqi Xu State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Macau, China
  • Zhuyifan Ye State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences (ICMS), University of Macau, Macau, China

    and

    Faculty of Applied Sciences, Macao Polytechnic University, Macao, China

  • Xianzhen Yin Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Center for Pharmaceutical Research, Shanghai, China

    and

    Lingang Laboratory, Shanghai, China

  • Peter York Institute of Pharmaceutical Innovation, University of Bradford, Bradford, UK
  • Yi Yu Institute of Functional Nano & Soft Materials (FUNSOM), Soochow University, 199 Ren'ai Road, Suzhou, 215123, Jiangsu, China
  • Jialu Yuan State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Macau, China
  • Jiwen Zhang Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Center for Pharmaceutical Research, Shanghai, China
  • Ling Zhang School of Chemistry and Chemical Engineering, University of Surrey, Guildford, UK
  • Yu Zhang  Innovation Research Institute of Traditional Chinese Medicine, Shanghai University of Traditional Chinese Medicine, Shanghai, China

    and

    Engineering Research Center of Modern Preparation Technology of Traditional Chinese Medicine, Ministry of Education, Shanghai, China

  • Zheng Zhang Jiangsu Province Hi‐Tech Key Laboratory for Biomedical Research, School of Chemistry and Chemical Engineering, Southeast University, Nanjing, China
  • Hao Zhong State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences (ICMS), University of Macau, Macau, China
  • Xudong Zhou Department of Chemical and Biological Engineering, Monash...

Erscheint lt. Verlag 21.6.2024
Sprache englisch
Themenwelt Naturwissenschaften Chemie
ISBN-10 1-119-98725-3 / 1119987253
ISBN-13 978-1-119-98725-3 / 9781119987253
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