1. Preformulation Studies: Molecular optimization of APIs (drug substances), crystal morphology and variations, powder flow, structure modification, drug-excipient compatibility studies, methods of determination.

 

2 Formulation Additives: Study of different formulation additives, factors influencing their incorporation, role of formulation development and processing, new developments in excipient science. Design of experiments – factorial design for product and process development.

 

3 Solubility: Importance, experimental determination, phasesolubility analysis, pH-solubility profile, solubility techniques to improve solubility and utilization of analytical methods – cosolvency, salt formation, complexation, solid dispersion, micellar solubilization and hydrotropy.

 

4 Dissolution: Theories, mechanisms of dissolution, in-vitro dissolution testing models – sink and non-sink. Factors influencing dissolution and intrinsic dissolution studies. Dissolution test apparatus – designs, dissolution testing for conventional and controlled release products. Data handling and correction factor. Biorelevent media, in-vitro and in-vivo correlations, levels of correlations.

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5 Product Stability: Degradation kinetics, mechanisms, stability testing of drugs and pharmaceuticals, factors influencing-media effects and pH effects, accelerated stability studies, interpretation of kinetic data (API & tablets). Solid state stability and shelf life assignment. Stability protocols, reports and ICH guidelines.

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Certainly! Here's an example table of contents for a book on Computer-Aided Drug Formulation:

Table of Contents

Preface

• About This Book

• Acknowledgments

• How to Use This Book

Chapter 1: Introduction to Computer-Aided Drug Formulation (CADF)

• 1.1 Overview of CADF

• 1.2 Historical Development

• 1.3 Role of CADF in Drug Development

• 1.4 Scope and Objectives of the Book

Chapter 2: Fundamentals of Drug Formulation

• 2.1 Drug Formulation Basics

• 2.2 Types of Drug Formulations

• 2.3 Formulation Development Process

• 2.4 CADF in Drug Formulation Workflow

Chapter 3: Pharmaceutical Science and Chemistry for CADF

• 3.1 Pharmaceutical Chemistry Fundamentals

• 3.2 Drug Stability and Solubility

• 3.3 Excipients and Additives

• 3.4 Computational Chemistry Tools for CADF

Chapter 4: Computational Tools and Techniques in CADF

• 4.1 Molecular Modeling and Simulation

• 4.2 Molecular Docking and Binding Studies

• 4.3 Quantitative Structure-Activity Relationship (QSAR)

• 4.4 Machine Learning and Data Mining in CADF

Chapter 5: Drug-Excipient Compatibility and Interactions

• 5.1 Drug-Excipient Compatibility Studies

• 5.2 Predicting Drug-Excipient Interactions

• 5.3 Excipient Selection and Design

• 5.4 Case Studies in Drug-Excipient Compatibility

Chapter 6: Formulation Optimization and Design

• 6.1 Formulation Optimization Techniques

• 6.2 Design of Experiments (DoE)

• 6.3 Controlled Release Formulations

• 6.4 Multi-Objective Formulation Design

Chapter 7: Bioavailability Enhancement Strategies

• 7.1 Enhancing Drug Solubility

• 7.2 Nanoformulations and Nanoparticles

• 7.3 Lipid-Based Formulations

• 7.4 Prodrug Development

Chapter 8: Drug Formulation for Specific Delivery Routes

• 8.1 Oral Drug Formulations

• 8.2 Injectable and Parenteral Formulations

• 8.3 Topical and Transdermal Formulations

• 8.4 Inhalation and Pulmonary Drug Formulations

Chapter 9: Regulatory and Quality Considerations

• 9.1 Regulatory Guidelines for Drug Formulation

• 9.2 Quality Control and Assurance

• 9.3 Intellectual Property and Patents

• 9.4 Responsible CADF Practices

Chapter 10: Challenges and Future Directions

• 10.1 Current Challenges in CADF

• 10.2 Emerging Technologies and Innovations

• 10.3 Personalized Medicine and CADF

• 10.4 The Future of Computer-Aided Drug Formulation

Appendix A: Glossary

• Key Terms and Definitions

Appendix B: CADF Resources

• Recommended Books, Journals, and Organizations

Index

This table of contents provides a structured outline for a comprehensive book on Computer-Aided Drug Formulation. You can customize it further to match the specific focus and goals of your book.