Artificial Intelligence In Pharmaceutical Sciences Drug Discovery

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.

The Era of Artificial Intelligence, Machine Learning and Data Science in the Pharmaceutical Industry examines the drug discovery process, assessing how new technologies have improved effectiveness. Artificial intelligence and machine learning are considered the future for a wide range of disciplines and industries, including the pharmaceutical industry. In an environment where producing a single approved drug costs millions and takes many years of rigorous testing prior to its approval, reducing costs and time is of high interest. This book follows the journey that a drug company takes when producing a therapeutic, from the very beginning to ultimately benefitting a patient’s life. This comprehensive resource will be useful to those working in the pharmaceutical industry, but will also be of interest to anyone doing research in chemical biology, computational chemistry, medicinal chemistry and bioinformatics. Demonstrates how the prediction of toxic effects is performed, how to reduce costs in testing compounds, and its use in animal research Written by the industrial teams who are conducting the work, showcasing how the technology has improved and where it should be further improved Targets materials for a better understanding of techniques from different disciplines, thus creating a complete guide

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.

The book has been designed to cover all the basic topics and examples related to disruptive innovations and industry 4.0 in general and in particular, pharmaceutical sciences and other branches of healthcare sectors like medical and diagnostic. Major disruption is due to the advent of Artificial Intelligence, Machine Learning, Deep Learning, Blockchain, 3D Organ Printing and others. The book is ahead of its time in the sense that in entire country there is no such subject which is being taught in pharmacy, nursing or medical courses. By the time it becomes part of syllabus, this book is among the best resources in a compiled format for healthcare professionals, academicians and students of pharmacy besides those want to learn from the basic; as content beyond syllabus tool. All the content has been compiled after referring and mining hundreds of latest and original first-hand updates from inventors, experts, organizations (who/which are engaged in drug discovery research directly or indirectly through Artificial Intelligence) like Insilico, Google, Microsoft, INVIDIA, Novartis, Intel, IBM etc. All topics are explained in very simple language with clear aim and outcome using flow charts, tables and infographics of original creators. Professionals from medical, pharmacy, nursing and dental and medical imaging arena will find this book very useful. Students of all levels will find book very beneficial as few topics have been just touched, few have been shallow in complexity and rest are covered in detail. Full precautions have been exercised to address the needs of biology group students so that they can easily and effortlessly understand the subject matter of this book, which requires mathematical skills to grasp the basics of AI. Recent examples from various corporates, universities and daily life have found place in this unique book in a very explicit manner. In initial two chapters, background information has been explained with various comparison and examples, while third chapter focuses on application of Artificial Intelligence in drug discovery, repurposing, in advance, faster and accurate diagnosis of diseases. Last chapter throws a light on insights pertaining to ethical issues in AI research; and laws related to intellectual property rights on products/services borne owing to success (partly or purely and fully) derived by machines or devices through AI programs/algorithms. At the end of each chapter, questions have been added for the readers, mainly students.

Major disruption world over is due to artificial intelligence (AI), blockchain, 3D organ printing, precision medicines and others. Almost all the industries are being affected by AI. Pharmaceutical sciences is also not an exception. This book comprising four chapters. Chapter first deals with basics of disruptive innovations and reasons behind these disruptions along with examples from every walk of life. In this chapter industry 4.0 has been discussed along with blockchain, precision medicine, 3D organ printing etc. With this background, chapter number two deals with AI, machine learning and deep learning. This chapter has been designed to cover all the basic topics and examples related to AI, machine learning (ML) and deep learning (DL) and their application in drug discovery in detail. In this chapter, different types of tasks, ML can handle, have been described in a very easy-to-understand fashion, besides types of machine learning (like supervised, unsupervised and reinforcement learning), ML algorithms etc. Basics like definitions of machine learning model, features, vectors, weights, biases, training, testing, data processing etc. all are covered in detail. Various types of artificial neural networks like convolutional neural network, recurrent neural network, autoencoders and its types like variational autoencoder, adversarial autoencoder and much talked about that is generative adversarial network have also been covered in a significant manner. Chapter third has been designed to cover basics and role of AI in drug discovery, including clinical trials and other departments of health and pharmaceutical sciences. More and more pharma companies are using AI and its subsets for increasing productivity in terms of drug discovery (de novo drug design, repurposing), manufacturing, clinical trials (subject selection, data recording and analysing, minimizing dropping out of subjects etc.), synthesis and others. All the content has been compiled after referring and mining hundreds of latest and original first-hand updates from inventors, experts, organizations (who/which are engaged in drug discovery research directly or indirectly through AI) like Insilico, Google, Microsoft, INVIDIA, Novartis, Intel, IBM, Exscientia, Berg, Atomwise, XtalPi, Recursion, H2OAi, Recursion, BenevolentAI, Minds.ai, Deep Genomics, AiCure, Trials.ai, GNS Healthcare, MIT, Okwin, Flatiron, Syapse etc. It was unavoidable to explore content from websites and newspapers as authors were interested to cover latest content. All topics are explained in very simple language with clear aim and outcome using flow charts, tables and infographics. Students of all levels will find book very beneficial as few topics have been just touched, few have been shallow in complexity and rest are covered in detail. Full precaution has been exercised to address the needs of learners from non-maths background so that they can easily and effortlessly understand the subject matter of this book. Recent examples from various corporates, universities and daily life have found place in this unique book in a very explicit manner. At relevant section, coding that is programming basics have been shared for beginners who wants to write python codes on their own. This has been explained in step-by-step manner in a reproducible manner, starting from installing conda environment on their local machine to importing package like numpy, pandas etc. in their jupyter notebook. Famous examples of Iris database, Pima diabetes dataset, Wisconsin breast cancer database and others have been shared as screenshots so that learners can type exactly same codes in their jupyter notebook and learn how to import excel CSV file that is respective dataset, defining x and y variables, splitting and defining % of train and test dataset, running model and finally analysing the prediction. This has been done to bring non-maths learners as close as possible to these topics which are running the world.

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

Major disruption worldover is due to AI, blockchain, 3D organ printing and others. Almost all the industries are being affected by AI. Health sector, particularly pharmaceutical sciences is also not an exception. The book has been designed to cover basics and role of AI in drug discovery, including clinical trials and other departments of health and pharmaceutical sciences. All the content has been compiled after referring and mining hundreds of latest and original first-hand updates from inventors, experts, organizations (who/which are engaged in drug discovery research directly or indirectly through AI) like Insilico, Google, Microsoft, INVIDIA, Novartis, Intel, IBM, Exscientia, Berg, Atomwise, XtalPi, Recursion, H2OAi, Recursion, BenevolentAI, Minds.ai, Deep Genomics, AiCure, Trials.ai, GNS Healthcare, MIT, Okwin, Flatiron, Syapse etc. It was unavoidable to explore content from websites and newspapers as authors were interested to cover latest content. All topics are explained in very simple language with clear aim and outcome using flow charts, tables and infographics. Professionals from medical, pharmacy, nursing and dental and medical imaging arena will find this book very useful. Students of all levels will find book very beneficial as few topics have been just touched, few have been shallow in complexity and rest are covered in detail. Full precautions have been exercised to address the needs of pharmacy students so that they can easily and effortlessly understand the subject matter of this book. Recent examples from various corporates, universities and daily life have found place in this unique book in a very explicit manner. At the end, questions have been added for the readers, mainly students. Authors are always open to suggestions, comments from our valuable readers. We wish you a happy reading......

This volume looks at applications of artificial intelligence (AI), machine learning (ML), and deep learning (DL) in drug design. The chapters in this book describe how AI/ML/DL approaches can be applied to accelerate and revolutionize traditional drug design approaches such as: structure- and ligand-based, augmented and multi-objective de novo drug design, SAR and big data analysis, prediction of binding/activity, ADMET, pharmacokinetics and drug-target residence time, precision medicine and selection of favorable chemical synthetic routes. How broadly are these approaches applied and where do they maximally impact productivity today and potentially in the near future. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step, readily reproducible modeling protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and unique, Artificial Intelligence in Drug Design is a valuable resource for structural and molecular biologists, computational and medicinal chemists, pharmacologists and drug designers.

"AI Pharma: Artificial Intelligence in Drug Discovery and Development" is a comprehensive exploration of how artificial intelligence is reshaping the pharmaceutical industry. It reveals how machine learning, deep learning, and other advanced technologies are revolutionizing drug discovery and development. The book meticulously charts the evolution of AI's role, starting from the surge in data collection and processing to the latest breakthroughs in predictive modeling. It unveils AI's transformative impact on research and development, delving into how AI tools streamline target identification, molecule generation, and clinical trials, leading to faster, more accurate results. Key industry experts share insights on the challenges of navigating the vast amount of data produced, stressing the importance of data cleaning, curation, and ethical considerations in collection. Case studies highlight how startups and leading companies use AI algorithms for deep learning in drug development, identifying disease targets and generating new compounds with unprecedented precision. The book emphasizes practical applications, like predictive models for toxicity and safety in preclinical trials and patient recruitment optimization in clinical trials. Additionally, it tackles the intersection of AI with emerging technologies like the Internet of Medical Things (IoMT) and blockchain, showcasing how these complement AI in securing data and enhancing pharmaceutical supply chains. Readers will gain a deep understanding of the regulatory landscape, exploring FDA guidelines and global regulations that shape AI adoption. Interwoven throughout are the voices of thought leaders who address legal and ethical challenges, highlight the significance of partnerships, and stress the need for transparent and trustworthy AI models. They emphasize cross-disciplinary collaboration and tailored training strategies to cultivate AI talent that meets the growing needs of pharma. By examining the future of deep learning, computational research, and explainable AI, the book provides a strategic roadmap that researchers, policymakers, and developers can follow. Ultimately, this book is not only a roadmap but also a clarion call, urging stakeholders to build collaborative ecosystems that harness AI's potential for innovative pharmaceutical research and development. Through a rich, detailed narrative, readers are guided to understand the profound implications and exciting opportunities that await in this AI-driven pharmaceutical landscape

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.