Artificial Intelligence and Machine Learning in Drug Design and Development

The book is a comprehensive guide that explores the use of artificial intelligence and machine learning in drug discovery and development covering a range of topics, including the use of molecular modeling, docking, identifying targets, selecting compounds, and optimizing drugs.

The intersection of Artificial Intelligence (AI) and Machine Learning (ML) within the field of drug design and development represents a pivotal moment in the history of healthcare and pharmaceuticals. The remarkable synergy between cutting-edge technology and the life sciences has ushered in a new era of possibilities, offering unprecedented opportunities, formidable challenges, and a tantalizing glimpse into the future of medicine.

AI can be applied to all the key areas of the pharmaceutical industry, such as drug discovery and development, drug repurposing, and improving productivity within a short period. Contemporary methods have shown promising results in facilitating the discovery of drugs to target different diseases. Moreover, AI helps in predicting the efficacy and safety of molecules and gives researchers a much broader chemical pallet for the selection of the best molecules for drug testing and delivery. In this context, drug repurposing is another important topic where AI can have a substantial impact. With the vast amount of clinical and pharmaceutical data available to date, AI algorithms find suitable drugs that can be repurposed for alternative use in medicine.

This book is a comprehensive exploration of this dynamic and rapidly evolving field. In an era where precision and efficiency are paramount in drug discovery, AI and ML have emerged as transformative tools, reshaping the way we identify, design, and develop pharmaceuticals. This book is a testament to the profound impact these technologies have had and will continue to have on the pharmaceutical industry, healthcare, and ultimately, patient well-being.

The editors of this volume have assembled a distinguished group of experts, researchers, and thought leaders from both the AI, ML, and pharmaceutical domains. Their collective knowledge and insights illuminate the multifaceted landscape of AI and ML in drug design and development, offering a roadmap for navigating its complexities and harnessing its potential. In each section, readers will find a rich tapestry of knowledge, case studies, and expert opinions, providing a 360-degree view of AI and ML’s role in drug design and development. Whether you are a researcher, scientist, industry professional, policymaker, or simply curious about the future of medicine, this book offers 19 state-of-the-art chapters providing valuable insights and a compass to navigate the exciting journey ahead.

Audience

The book is a valuable resource for a wide range of professionals in the pharmaceutical and allied industries including researchers, scientists, engineers, and laboratory workers in the field of drug discovery and development, who want to learn about the latest techniques in machine learning and AI, as well as information technology professionals who are interested in the application of machine learning and artificial intelligence in drug development.

Abhirup Khanna is an accomplished professional currently working as an assistant professor at the University of Petroleum and Energy Studies, Dehradun, India. He is an alumnus of The University of Melbourne, Australia. He has authored two books and numerous research publications in the areas of AI, blockchain technology, Internet of Things, and Cloud Computing for international journals and conferences. His research profile demonstrates his commitment to pushing the boundaries of AI and blockchain technology and his potential to drive transformative changes in these fields.

May El Barachi, PhD, is the Director of Computer Science & IT Programs at the University of Wollongong in Dubai, UAE. An Egyptian-Canadian computer scientist, and smart technology expert with degrees in telecom, engineering, computer engineering, and computer science, Dr. El Barachi holds leadership roles in teaching/learning and research. In her current role, she defines the research strategy for the faculty and ensures that the right ecosystem is established for conducting high-impact research.

Sapna Jain, PhD, is an assistant professor at the University of Petroleum and Energy Studies, Dehradun, India. She has earned her PhD in ‘Synthesis of novel bioactive compounds’ from Delhi University. She has published various research papers in renowned national and international journals, as well as two patents concerning the application of a synergistic combination of synthetic and natural products as an antifungal agent.

Manoj Kumar, PhD, is an associate professor at the University of Wollongong in Dubai, UAE as well as the Research Head for Network and Cyber Security Cluster at the university. He obtained his PhD from The Northcap University, Haryana, India. Dr. Kumar has more than 14 years of research, teaching, and corporate experience, and has published more than 175 research articles in international refereed journals and conferences.

Anand Nayyar, PhD, obtained his doctorate from Desh Bhagat University, Punjab, India in 2017 and is currently an assistant professor at the School of Computer Science, Duy Tan University, Viet Nam. He is also the Vice-Chairman of Research and Director of the IoT and Intelligent Systems Lab at Duy Tan University. He has published more than 180 research articles in international refereed journals, 50 books, and has 100+ patents to his credit. He has more than 12,000 citations on Google Scholar.