Artificial Intelligence For Drug Discovery And Development

Topic editor Alex Zhavoronkov is the founder of Insilico Medicine, a company specializing in AI research. He is also a professor at the Buck Institute for Research on Aging. All other Topic Editors declare no competing interests with regards to the Research Topic subject.

Following significant advances in deep learning and related areas interest in artificial intelligence (AI) has rapidly grown. In particular, the application of AI in drug discovery provides an opportunity to tackle challenges that previously have been difficult to solve, such as predicting properties, designing molecules and optimising synthetic routes. Artificial Intelligence in Drug Discovery aims to introduce the reader to AI and machine learning tools and techniques, and to outline specific challenges including designing new molecular structures, synthesis planning and simulation. Providing a wealth of information from leading experts in the field this book is ideal for students, postgraduates and established researchers in both industry and academia.

There exists a profound conflict at the heart of oncology drug development. The efficiency of the drug development process is falling, leading to higher costs per approved drug, at the same time personalised medicine is limiting the target market of each new medicine. Even as the global economic burden of cancer increases, the current paradigm in drug development is unsustainable. In this book, we discuss the development of techniques in machine learning for improving the efficiency of oncology drug development and delivering cost-effective precision treatment. We consider how to structure data for drug repurposing and target identification, how to improve clinical trials and how patients may view artificial intelligence.

This cutting-edge reference book discusses the intervention of artificial intelligence in the fields of drug development, modified drug delivery systems, pharmaceutical technology, and medical devices development. This comprehensive book includes an overview of artificial intelligence in pharmaceutical sciences and applications in the drug discovery and development process. It discusses the role of machine learning in the automated detection and sorting of pharmaceutical formulations. It covers nanosafety and the role of artificial intelligence in predicting potential adverse biological effects. FEATURES Includes lucid, step-by-step instructions to apply artificial intelligence and machine learning in pharmaceutical sciences Explores the application of artificial intelligence in nanosafety and prediction of potential hazards Covers application of artificial intelligence in drug discovery and drug development Reviews the role of artificial intelligence in assessment of pharmaceutical formulations Provides artificial intelligence solutions for experts in the pharmaceutical and medical devices industries This book is meant for academicians, students, and industry experts in pharmaceutical sciences, medicine, and pharmacology.

A Handbook of Artificial Intelligence in Drug Delivery explores the use of Artificial Intelligence (AI) in drug delivery strategies. The book covers pharmaceutical AI and drug discovery challenges, Artificial Intelligence tools for drug research, AI enabled intelligent drug delivery systems and next generation novel therapeutics, broad utility of AI for designing novel micro/nanosystems for drug delivery, AI driven personalized medicine and Gene therapy, 3D Organ printing and tissue engineering, Advanced nanosystems based on AI principles (nanorobots, nanomachines), opportunities and challenges using artificial intelligence in ADME/Tox in drug development, commercialization and regulatory perspectives, ethics in AI, and more. This book will be useful to academic and industrial researchers interested in drug delivery, chemical biology, computational chemistry, medicinal chemistry and bioinformatics. The massive time and costs investments in drug research and development necessitate application of more innovative techniques and smart strategies. Focuses on the use of Artificial Intelligence in drug delivery strategies and future impacts Provides insights into how artificial intelligence can be effectively used for the development of advanced drug delivery systems Written by experts in the field of advanced drug delivery systems and digital health

Artificial intelligence (AI) is transforming the practice of medicine. It is helping doctors diagnose patients more accurately, predict treatment effects on individuals, and recommend better treatments. AI is also transforming the drug discovery and development process, helping pharmaceutical researchers to identify and design active drug candidates, and reducing the cost of the clinical testing phase. Recently, the FDA moved toward a new, tailored review framework for artificial intelligence-based medical devices (Gottlieb, April 2019).This book is intended for a broad readership: sufficiently straightforward for college freshmen and informative enough for researchers. Chapter 1 gives a gentle introduction to the five ML categories of learning: supervised, unsupervised, reinforcement, evolutionary and swarm intelligence. Chapters 2 through 6 discuss the key concepts of the main methods in each of the five AI categories and their applications in pharmaceutical research & development and healthcare. Chapter 7 provides a state-of-the-art review of AI applications in prescription drug discovery, development, pharmacovigilance, and healthcare. Chapter 8 discusses artificial general intelligence and its controversies, challenges, and likely future directions. A few equations are included to effectively deliver key concepts and 100 key references are cited to meet researchers' needs. The book is a simplified version of my previous book: Artificial Intelligence for Drug Development, Precision Medicine, and Healthcare. Readers who want to get hands on experiences may explore the book with computer code in R.

Artificial Intelligence in Drug Discovery aims to introduce the reader to AI and machine learning tools and techniques, and to outline specific challenges including designing new molecular structures, synthesis planning and simulation.

The confluence of big data, artificial intelligence (AI), and machine learning (ML) has led to a paradigm shift in how innovative medicines are developed and healthcare delivered. To fully capitalize on these technological advances, it is essential to systematically harness data from diverse sources and leverage digital technologies and advanced analytics to enable data-driven decisions. Data science stands at a unique moment of opportunity to lead such a transformative change. Intended to be a single source of information, Data Science, AI, and Machine Learning in Drug Research and Development covers a wide range of topics on the changing landscape of drug R & D, emerging applications of big data, AI and ML in drug development, and the build of robust data science organizations to drive biopharmaceutical digital transformations. Features Provides a comprehensive review of challenges and opportunities as related to the applications of big data, AI, and ML in the entire spectrum of drug R & D Discusses regulatory developments in leveraging big data and advanced analytics in drug review and approval Offers a balanced approach to data science organization build Presents real-world examples of AI-powered solutions to a host of issues in the lifecycle of drug development Affords sufficient context for each problem and provides a detailed description of solutions suitable for practitioners with limited data science expertise