Computer Aided Drug Development
  by C V S Subrahmanyam / N Swathi / T Durai Ananda Kumar / J Thimmasetty
 
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   ISBN 978-93-85529-28-3; First Ed. 2020; pp.x+???

   Delhi price: 400      Outside Delhi price: 420      Overseas price : 1200

 About The Book  

This book meets the uniform syllabus prescribed by the Pharmacy Council of India (Vide no. Gazette of India, No. 362, dt. December, 2014) of Master of Pharmacy (Pharmaceutics) course regulations. It will also be of use to the research scholars at PG and Ph.D. levels. These enrich the concepts and value-added knowledge base of persons working in the industry and research organizations. Due to availability of user friendly software, the application of principles into practice is possible irrespective of the level of computer literacy of reader.

   This book begins with an appreciation and understanding of computers, hardware, software and special computational methods for drug discovery and development. Several techniques of formulation development are explained with the inputs of computers. A recent topic namely artificial intelligence is included with its applications in the formulation development, robotics, automation and artificial neural networks. The topic of QbD has been widely discussed from the regulatory perspectives. This book takes care of additional details of elements, functions, tools and related principles, which may initiate updating the syllabus.

   The 18 chapters cover areas, such as Computers in Pharmaceutical Research and Development; Statistical and Modeling Simulations; Tumor Growth, Gompertz Model–Statistical Simulations; Quality by Design in Pharmaceutical Development; Experimental Designs in Formulation Development; Computer Aided Formulation Development–Complex Systems; Computational Fluid Dynamics in Pharmaceutical Development; Artificial Intelligence (AI); Expert and Knowledge Based Systems; Artificial Neural Networks (ANN); Computational Methods in Pharmacokinetics; Computer-aided Biopharmaceutical Characterization; Computer Simulations in Pharmacokinetics and Pharmacodynamics; Computers in Clinical Development-Data Collection and Data Management; Ethics of Computing in Pharmaceutical Research; Computer Market for Pharmaceutical Research; Regulations of Computer Systems and Legal Protection of Innovative Computer Related Systems.

   Special emphasis is given to the requirements and expectations of the reader.
          1. Application of principles
          2. A number of illustrations on the lines of concept mapping
          3. Question bank for drawing the attention of relevant particulars.

 Content


Chapter 1. COMPUTER TECHNOLOGIES IN PHARMACEUTICAL RESEARCH
     Computational Techniques – Advances in Hardware
     Computational Techniques – Advances in Software
     Special Tools for Drug Discovery
     Computational Techniques – Product Development
     Question Bank

Chapter 2. STATISTICAL MODELING AND SIMULATIONS – PRINCIPLES
     Parametric Versus Nonparametric Models
     Descriptive Versus Mechanistic Models
     Computer Simulations
     Simulation – Components and Construction
     Question Bank

Chapter 3. TUMOR GROWTH, GOMPERTZ MODEL – STATISTICAL MODELING
     Functional Form of Model – Tumor Growth
     Statistical Parameters – Estimations
     Tumor Growth – Confidence Regions
     Tumor Growth – Sensitivity Analysis
     Tumor Growth – Sample Times - D-Optimal Design
     Tumor Growth – Population Modeling
     Question Bank

Chapter 4. QBD IN PHARMACEUTICAL DEVELOPMENT
     Regulatory View of QbD
     Elements of QbD
     Question Bank

Chapter 5. EXPERIMENTAL DESIGNS IN FORMULATION DEVELOPMENT
     Mathematical Models and Statistical Tests
     Search Methods and Simulations
     Screening Designs
     Factorial Designs
     Response Surface Designs
     Simplex Designs
     Mixture Designs
     Question Bank

Chapter 6. COMPUTER IN FORMULATION DEVELOPMENT - COMPLEX SYSTEMS
     Formulation of Emulsions –Computer Techniques
     Formulation of Multiple Emulsions –Computer Techniques
     Formulation of Microemulsion and Carriers Systems –Computer Techniques
     Question Bank

Chapter 7. COMPUTATIONAL FLUID DYNAMICS
                – APPLICATIONS IN PHARMCEUTICAL TECHNOLOGY

     Theoretical Principles-CFD
     Methods of Measuring CFD
     Fluidized Bed Processor – CFD Simulations
     Drug Dissolution Testing - Hydrodynamics
     Dry Powder Inhalers - Computational Fluid Dynamics
     Question Bank

Chapter 8. ARTIFICIAL INTELLIGENCE – TECHNOLOGIES AND APPLICATIONS
     Artificial Intelligence - Technologies
     Applications of Artificial Intelligence
     Artificial Intelligence and Robotics
     Robots and Pharmaceutical Applications
     AI - Robots - Automation
     Components of Automation
     Automation -Applications
     Question Bank

Chapter 9. EXPERT AND KNOWLEDGE BASED SYSTEMS
                – FORMULATION DEVELOPMENT

     Elements of Expert System
     Expert Systems – Formulation Development
     Artificial Intelligence – Expert Systems
     Expert System Simulations – Formulation Development
     Question Bank

Chapter 10. ARTIFICIAL NEURAL NETWORKS - PRINCIPLES
     Buildup of Artificial Neural Network - Model
     Working of the Artificial Neural Network
     Training and Testing of the Artificial Neural Network
     Static Neural Networks
     Dynamic Neural Networks
     Fuzzy Logic
     Evolutionary Computing and Genetic Algorithm
     Self-organizing Maps
     Question Bank

 
Chapter 11. COMPUTATIONAL MODELING AND PHARMACOKINETICS OF DRUGS
     Drug Distribution-Principles
     Drug Distribution-Computational Models
     Biotransformation-Principles
     Biotransformation-Computational Models
     Renal Excretion of Drugs-Principles
     Renal Excretion of Drugs-Computational Models
     Drug Absorption-Principles
     Drug Absorption-Computational Models
     Computational Approaches
     Question Bank

Chapter 12. COMPUTERS AIDED BIOPHARMACEUTICAL CHARACTERIZATION
     ACAT Model - Construction
     ACAT Modeling and GI Simulations
     Model Exploration
     Parameter Sensitivity Analysis
     Virtual Trials
     Fed and Fasted States – GIST Analysis
     In Vitro Dissolution – In vitro-In vivo Correlations
     Biowaiver Considerations as per BCS – Drug Approval
     Question Bank

Chapter 13. COMPUTER SIMULATIONS FOR PK AND PD
     Simulation – Software
     Pharmacokinetic Modeling
     Pharmacodynamics Modeling
     Computer Simulations of Whole Organism
     Computer Simulations of Isolated Tissue/Organs
     Computer Simulations of the Cell
     Computer Simulations of Proteins and Genes
     Question Bank

14. COMPUTERS IN CLINICAL DATA COLLECTION AND MANAGEMENT
     Data Collection - Elements
     Data Collection – Tools and Procedures
     Clinical Research -Software and Hardware
     Clinical Data Management System
     Communication-Tools
     Question Bank

15. COMPUTER ETHICS - COMPUTING IN PHARMACEUTICAL RESEARCH
     Historical Perspectives of Computer Ethics
     Code of Conduct- Use of Computers
     Computer Ethics-Issues and Conflicts
     Computational Techniques – Issues of Ethics
     Question Bank

16. MARKET OF COMPUTERS – FEATURES OF MOTIVATION
     Clinical Research and Efficiency
     Data Analysis – Software Support
     Computers - Decision Making
     Question Bank

17. COMPUTER SYSTEMS – ELECTRONIC REGULATIONS
     Electronic Records
     Electronic Signatures
     Question Bank

18. COMPUTER RELATED INVENTIONS - IPRS
     Computer-Related Inventions
     Computer Related Inventions - Patents
     Computer Related Inventions - Copyrights
     Computer Related Inventions – Trade Secrets
     Question Bank

APPENDIX-I : Definitions and Meanings
APPENDIX-II : All In Twos—Know Them Well
Appendix-III : Bibliography
Appendix-IV : Abbreviations