Artificial Intelligence In Drug Design

Author : Alexander Heifetz
Publisher : Unknown
Page : 529 pages
File Size : 50,9 Mb
Release : 2021
Category : Artificial intelligence
ISBN : 1071617877

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Artificial Intelligence in Drug Design by Alexander Heifetz Pdf

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.

Author : Nathan Brown
Publisher : Royal Society of Chemistry
Page : 425 pages
File Size : 53,6 Mb
Release : 2020-11-04
Category : Computers
ISBN : 9781839160547

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Artificial Intelligence in Drug Discovery by Nathan Brown Pdf

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.

Author : Nathan Brown
Publisher : Royal Society of Chemistry
Page : 425 pages
File Size : 45,9 Mb
Release : 2020-11-12
Category : Computers
ISBN : 9781788015479

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Artificial Intelligence in Drug Discovery by Nathan Brown Pdf

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.

Author : Alexander Heifetz
Publisher : Humana
Page : 0 pages
File Size : 43,8 Mb
Release : 2022-11-05
Category : Medical
ISBN : 1071617893

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Artificial Intelligence in Drug Design by Alexander Heifetz Pdf

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.

Author : Anil K. Philip,Aliasgar Shahiwala,Mamoon Rashid,Md Faiyazuddin
Publisher : Academic Press
Page : 644 pages
File Size : 54,9 Mb
Release : 2023-03-27
Category : Computers
ISBN : 9780323903738

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A Handbook of Artificial Intelligence in Drug Delivery by Anil K. Philip,Aliasgar Shahiwala,Mamoon Rashid,Md Faiyazuddin Pdf

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

Author : Jianfeng Pei,Alex Zhavoronkov
Publisher : Frontiers Media SA
Page : 229 pages
File Size : 42,9 Mb
Release : 2021-11-16
Category : Science
ISBN : 9782889716494

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Artificial intelligence for Drug Discovery and Development by Jianfeng Pei,Alex Zhavoronkov Pdf

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.

Author : Inamuddin,Tariq Altalhi,Jorddy Neves Cruz,Moamen Salah El-Deen Refat
Publisher : John Wiley & Sons
Page : 388 pages
File Size : 42,9 Mb
Release : 2022-10-04
Category : Medical
ISBN : 9781394167234

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Drug Design using Machine Learning by Inamuddin,Tariq Altalhi,Jorddy Neves Cruz,Moamen Salah El-Deen Refat Pdf

DRUG DESIGN USING MACHINE LEARNING The use of machine learning algorithms in drug discovery has accelerated in recent years and this book provides an in-depth overview of the still-evolving field. The objective of this book is to bring together several chapters that function as an overview of the use of machine learning and artificial intelligence applied to drug development. The initial chapters discuss drug-target interactions through machine learning for improving drug delivery, healthcare, and medical systems. Further chapters also provide topics on drug repurposing through machine learning, drug designing, and ultimately discuss drug combinations prescribed for patients with multiple or complex ailments. This excellent overview Provides a broad synopsis of machine learning and artificial intelligence applications to the advancement of drugs; Details the use of molecular recognition for drug development through various mathematical models; Highlights classical as well as machine learning-based approaches to study target-drug interactions in the field of drug discovery; Explores computer-aided technics for prediction of drug effectiveness and toxicity. Audience The book will be useful for information technology professionals, pharmaceutical industry workers, engineers, university researchers, medical practitioners, and laboratory workers who have a keen interest in the area of machine learning and artificial intelligence approaches applied to drug advancements.

Author : Mullaicharam Bhupathyraaj,K. Reeta Vijaya Rani,Musthafa Mohamed Essa
Publisher : CRC Press
Page : 265 pages
File Size : 46,7 Mb
Release : 2023-11-23
Category : Medical
ISBN : 9781000994599

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Artificial intelligence in Pharmaceutical Sciences by Mullaicharam Bhupathyraaj,K. Reeta Vijaya Rani,Musthafa Mohamed Essa Pdf

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.

Author : Abhirup Khanna,May El Barachi,Manoj Kumar,Supna Jain,Anand Nayyar
Publisher : Wiley
Page : 0 pages
File Size : 45,7 Mb
Release : 2024-07-30
Category : Computers
ISBN : 1394234163

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Artificial Intelligence and Machine Learning in Drug Design and Development by Abhirup Khanna,May El Barachi,Manoj Kumar,Supna Jain,Anand Nayyar Pdf

Author : John Cassidy,Belle Taylor
Publisher : BoD – Books on Demand
Page : 194 pages
File Size : 41,5 Mb
Release : 2020-09-09
Category : Medical
ISBN : 9781789846898

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Artificial Intelligence in Oncology Drug Discovery and Development by John Cassidy,Belle Taylor Pdf

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.

Author : Ankit Gangwal
Publisher : Independently Published
Page : 358 pages
File Size : 46,6 Mb
Release : 2021-03-08
Category : Electronic
ISBN : 9798718697261

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Artificial Intelligence in Drug Discovery by Ankit Gangwal Pdf

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......

Author : Harry Yang
Publisher : CRC Press
Page : 335 pages
File Size : 53,7 Mb
Release : 2022-10-04
Category : Business & Economics
ISBN : 9781000652673

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Data Science, AI, and Machine Learning in Drug Development by Harry Yang Pdf

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

Author : Mark Chang
Publisher : CRC Press
Page : 372 pages
File Size : 45,7 Mb
Release : 2020-05-07
Category : Business & Economics
ISBN : 9781000766721

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Artificial Intelligence for Drug Development, Precision Medicine, and Healthcare by Mark Chang Pdf

Artificial Intelligence for Drug Development, Precision Medicine, and Healthcare covers exciting developments at the intersection of computer science and statistics. While much of machine-learning is statistics-based, achievements in deep learning for image and language processing rely on computer science’s use of big data. Aimed at those with a statistical background who want to use their strengths in pursuing AI research, the book: · Covers broad AI topics in drug development, precision medicine, and healthcare. · Elaborates on supervised, unsupervised, reinforcement, and evolutionary learning methods. · Introduces the similarity principle and related AI methods for both big and small data problems. · Offers a balance of statistical and algorithm-based approaches to AI. · Provides examples and real-world applications with hands-on R code. · Suggests the path forward for AI in medicine and artificial general intelligence. As well as covering the history of AI and the innovative ideas, methodologies and software implementation of the field, the book offers a comprehensive review of AI applications in medical sciences. In addition, readers will benefit from hands on exercises, with included R code.

Author : Prashant Johri,Jitendra Kumar Verma,Sudip Paul
Publisher : Springer Nature
Page : 404 pages
File Size : 41,7 Mb
Release : 2020-05-04
Category : Technology & Engineering
ISBN : 9789811533570

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Applications of Machine Learning by Prashant Johri,Jitendra Kumar Verma,Sudip Paul Pdf

This book covers applications of machine learning in artificial intelligence. The specific topics covered include human language, heterogeneous and streaming data, unmanned systems, neural information processing, marketing and the social sciences, bioinformatics and robotics, etc. It also provides a broad range of techniques that can be successfully applied and adopted in different areas. Accordingly, the book offers an interesting and insightful read for scholars in the areas of computer vision, speech recognition, healthcare, business, marketing, and bioinformatics.

Author : Stephanie K. Ashenden
Publisher : Academic Press
Page : 266 pages
File Size : 49,6 Mb
Release : 2021-04-23
Category : Computers
ISBN : 9780128204498

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The Era of Artificial Intelligence, Machine Learning, and Data Science in the Pharmaceutical Industry by Stephanie K. Ashenden Pdf

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