An Introduction To Generative Drug Discovery

DOWNLOAD

Download An Introduction To Generative Drug Discovery PDF/ePub or read online books in Mobi eBooks. Click Download or Read Online button to get An Introduction To Generative Drug Discovery book now. This website allows unlimited access to, at the time of writing, more than 1.5 million titles, including hundreds of thousands of titles in various foreign languages. If the content not found or just blank you must refresh this page

An Introduction To Generative Drug Discovery

DOWNLOAD
Author : Sean Ekins
language : en
Publisher: CRC Press
Release Date : 2025-01-27

An Introduction To Generative Drug Discovery written by Sean Ekins and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-01-27 with Medical categories.

This book focuses on the latest advances in computational de novo drug discovery methods, also known as generative drug discovery. This book describes the state‐of‐the‐art methods and applications for de novo design of drug candidates using generative chemistry models as well as the ethical aspects of this technology. It will provide a foundation for those new to the field as well as those that may already have some experience of its utility. With contributions from scientists in both academia and industry ‘an Introduction to Generative Drug Discovery’ may represent one of the earliest if not the first book to focus on this topic. This book focuses on the latest advances in generative discovery methods. This book will describe different state of the art applications of generative molecule design. The book describes ethical aspects of generative drug discovery technology. The mix of academic and industrial authors provides an array of applications of generative drug discovery. A future perspective of where these generative technologies may take us in drug discovery is described included self-driving labs.

An Introduction To Generative Drug Discovery

DOWNLOAD
Author : Sean Ekins
language : en
Publisher:
Release Date : 2025

An Introduction To Generative Drug Discovery written by Sean Ekins and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025 with Medical categories.

This book focuses on the latest advances in computational de novo drug discovery methods, also known as generative drug discovery. This book describes the state‑of‑the‑art methods and applications for de novo design of drug candidates using generative chemistry models as well as the ethical aspects of this technology. It will provide a foundation for those new to the field as well as those that may already have some experience of its utility. With contributions from scientists in both academia and industry 'an Introduction to Generative Drug Discovery' may represent one of the earliest if not the first book to focus on this topic. This book focuses on the latest advances in generative discovery methods. This book will describe different state of the art applications of generative molecule design. The book describes ethical aspects of generative drug discovery technology. The mix of academic and industrial authors provides an array of applications of generative drug discovery. A future perspective of where these generative technologies may take us in drug discovery is described included self-driving labs.

Biophysical And Computational Tools In Drug Discovery

DOWNLOAD
Author : Anil Kumar Saxena
language : en
Publisher: Springer Nature
Release Date : 2021-10-18

Biophysical And Computational Tools In Drug Discovery written by Anil Kumar Saxena and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-10-18 with Science categories.

This book reviews recent physicochemical and biophysical techniques applied in drug discovery research, and it outlines the latest advances in computational drug design. Divided into 10 chapters, the book discusses about the role of structural biology in drug discovery, and offers useful application cases of several biophysical and computational methods, including time-resolved fluorometry (TRF) with Förster resonance energy transfer (FRET), X-Ray crystallography, nuclear magnetic resonance spectroscopy, mass spectroscopy, generative machine learning for inverse molecular design, quantum mechanics/molecular mechanics (QM/MM,ONIOM) and quantum molecular dynamics (QMT) methods. Particular attention is given to computational search techniques applied to peptide vaccines using novel mathematical descriptors and structure and ligand-based virtual screening techniques in drug discovery research. Given its scope, the book is a valuable resource for students, researchers and professionals from pharmaceutical industry interested in drug design and discovery.

Drug Discovery And Development Explained Introductory Notes For The General Public

DOWNLOAD
Author : Bruno Villoutreix
language : en
Publisher: Frontiers Media SA
Release Date : 2024-12-11

Drug Discovery And Development Explained Introductory Notes For The General Public written by Bruno Villoutreix and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-12-11 with Medical categories.

Drug discovery and development involve complex processes, highly integrated interdisciplinary research, and collaborations between academic groups and the private sector. It is a long and resource-intensive endeavor characterized by a high attrition rate. Yet new strategies are being explored, aiming at accelerating the development of novel treatments, from the combination of artificial intelligence with cutting-edge experimental approaches, and the development of novel types of therapeutic agents to personalized medicine. Because drug discovery and development is a vast field with many stakeholders and potential conflicts of interest, it is important that the general public gains basic knowledge about the main concepts to be able to make informed healthcare decisions for themselves and family members, understand discussions in the news and social networks or proposals from policymakers and politicians. Furthermore, people are directly affected by the field, as patients seeking novel and better treatments, as volunteers in clinical trials, or as members of patient organizations. Building public knowledge and understanding about the field of drug discovery and development will also help to address growing public concerns about how health data should be collected and used.

Deep Learning For The Life Sciences

DOWNLOAD
Author : Bharath Ramsundar
language : en
Publisher: O'Reilly Media
Release Date : 2019-04-10

Deep Learning For The Life Sciences written by Bharath Ramsundar and has been published by O'Reilly Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-04-10 with Science categories.

Deep learning has already achieved remarkable results in many fields. Now it’s making waves throughout the sciences broadly and the life sciences in particular. This practical book teaches developers and scientists how to use deep learning for genomics, chemistry, biophysics, microscopy, medical analysis, and other fields. Ideal for practicing developers and scientists ready to apply their skills to scientific applications such as biology, genetics, and drug discovery, this book introduces several deep network primitives. You’ll follow a case study on the problem of designing new therapeutics that ties together physics, chemistry, biology, and medicine—an example that represents one of science’s greatest challenges. Learn the basics of performing machine learning on molecular data Understand why deep learning is a powerful tool for genetics and genomics Apply deep learning to understand biophysical systems Get a brief introduction to machine learning with DeepChem Use deep learning to analyze microscopic images Analyze medical scans using deep learning techniques Learn about variational autoencoders and generative adversarial networks Interpret what your model is doing and how it’s working

Deep Learning

DOWNLOAD
Author : Manish Soni
language : en
Publisher:
Release Date : 2024-11-13

Deep Learning written by Manish Soni and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-11-13 with Computers categories.

Welcome to "Deep Learning: A Comprehensive Guide," a book meticulously designed to cater to the needs of learners at various stages of their journey into the fascinating world of deep learning. Whether you are a beginner embarking on your first exploration into artificial intelligence or a seasoned professional looking to deepen your expertise, this book aims to be your trusted companion. Deep learning, a subset of machine learning, has revolutionized the field of artificial intelligence, enabling advancements that were once thought to be the stuff of science fiction. From autonomous vehicles to sophisticated natural language processing systems, deep learning has become the backbone of many cutting-edge technologies. Understanding and mastering deep learning is not just a desirable skill but a necessity for anyone looking to thrive in the modern tech landscape. What This Book Offers This book is not just a theoretical exposition but a practical guide designed to provide you with a holistic learning experience. Here's a glimpse of what you can expect: Structured Content: Starts with neural network basics and advances to topics like convolutional, recurrent, and generative adversarial networks. Each chapter builds on the previous, ensuring a comprehensive learning journey. Online Practice Questions: Each chapter includes practice questions from basic to advanced levels to test and reinforce your understanding. Videos: Instructional videos complement the book's content, offering step-by-step explanations and real-life applications. Exercises and Projects: Includes exercises and hands-on projects that simulate real-world problems, providing practical experience. Lab Activities: Features lab activities using frameworks like TensorFlow and PyTorch for hands-on experimentation with deep learning models. Case Studies: Illustrates the application of deep learning in industries such as healthcare, finance, and entertainment, highlighting its transformative potential. Comprehensive Coverage: Covers a broad spectrum of topics, from theoretical foundations to practical implementations, latest advancements, ethical considerations, and future trends. Who Should Use This Book? This book is designed for: Students and Academics: Pursuing studies in computer science, data science, or related fields. Industry Professionals: Enhancing skills or transitioning into roles involving deep learning. Embarking on the journey to master deep learning is both challenging and rewarding. This book is designed to make that journey as smooth and enlightening as possible. We hope that the combination of theoretical knowledge, practical exercises, projects, and real-world applications will equip you with the skills and confidence needed to excel in the field of deep learning.

Machine Learning Meets Quantum Physics

DOWNLOAD
Author : Kristof T. Schütt
language : en
Publisher: Springer Nature
Release Date : 2020-06-03

Machine Learning Meets Quantum Physics written by Kristof T. Schütt and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-06-03 with Science categories.

Designing molecules and materials with desired properties is an important prerequisite for advancing technology in our modern societies. This requires both the ability to calculate accurate microscopic properties, such as energies, forces and electrostatic multipoles of specific configurations, as well as efficient sampling of potential energy surfaces to obtain corresponding macroscopic properties. Tools that can provide this are accurate first-principles calculations rooted in quantum mechanics, and statistical mechanics, respectively. Unfortunately, they come at a high computational cost that prohibits calculations for large systems and long time-scales, thus presenting a severe bottleneck both for searching the vast chemical compound space and the stupendously many dynamical configurations that a molecule can assume. To overcome this challenge, recently there have been increased efforts to accelerate quantum simulations with machine learning (ML). This emerging interdisciplinary community encompasses chemists, material scientists, physicists, mathematicians and computer scientists, joining forces to contribute to the exciting hot topic of progressing machine learning and AI for molecules and materials. The book that has emerged from a series of workshops provides a snapshot of this rapidly developing field. It contains tutorial material explaining the relevant foundations needed in chemistry, physics as well as machine learning to give an easy starting point for interested readers. In addition, a number of research papers defining the current state-of-the-art are included. The book has five parts (Fundamentals, Incorporating Prior Knowledge, Deep Learning of Atomistic Representations, Atomistic Simulations and Discovery and Design), each prefaced by editorial commentary that puts the respective parts into a broader scientific context.

A Guide To Particulate Science In Pharmaceutical Product Development

DOWNLOAD
Author : Margaret D. Louey
language : en
Publisher: CRC Press
Release Date : 2025-08-04

A Guide To Particulate Science In Pharmaceutical Product Development written by Margaret D. Louey and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-08-04 with Medical categories.

The pharmaceutical applications of powder technology have long been recognized. Yet while many books focus on aspects of powder formation and behavior, there are few texts that explore the power of particulate science in the design, manufacture, and control of quality medicines. This revision discusses key principles and practical applications. The authors cover particulate material, its form and production, sampling from bodies of powder, particle size descriptors and statistics, behavior of particles and powder, instrumental analysis, particle size measurement and synergy of adopted techniques, and in vitro and in vivo performance criteria. Case studies are included in this new edition. This fully revised edition: Provides an essential account of particulate science including several new chapters on multicomponent particles, regulatory considerations and product development Presents a variety of topics ranging from the quality of published data on particle size in pharmaceuticals to the future of crystal engineering Reviews methods of particle measurement and their importance for specific applications Discusses misconceptions and misunderstandings of particulate science together with lessons from other industries

Viral Oncology

DOWNLOAD
Author : Umesh Kumar
language : en
Publisher: CRC Press
Release Date : 2025-03-21

Viral Oncology written by Umesh Kumar and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-03-21 with Medical categories.

Viral Oncology: New Approaches to Molecular Cancer Therapeutics offers a comprehensive exploration of how viruses contribute to cancer development, bridging the gap between basic virology and clinical oncology. Featuring contributions from leading researchers, this authoritative text examines the mechanisms of viral oncogenesis, key oncogenic viruses, and the latest therapeutic strategies. The book highlights cutting-edge research on Human Papillomavirus (HPV), Epstein-Barr Virus (EBV), Hepatitis B and C, and other cancer-causing viruses, providing clinicians and researchers with critical insights into the prevention, diagnosis, and treatment of virus-induced cancers. Ideal for oncologists, virologists, and molecular biologists, this text equips readers with both foundational knowledge and the latest advancements in the rapidly evolving field of viral oncology. Stay ahead in the field with this definitive guide to understanding and combating virusinduced malignancies. The volume explores the biology and pathology of oncogenic viruses, offering insights into novel therapeutic approaches, including immunotherapy and gene editing. Viral Oncology: New Approaches to Molecular Cancer Therapeutics presents an in-depth and authoritative examination of how oncogenic viruses contribute to cancer development and progression, bridging the critical gap between foundational virology and clinical oncology. This volume brings together groundbreaking research from world-renowned scientists and clinicians who explore the complex mechanisms of viral oncogenesis, shedding light on both well-established and emerging viral agents, such as HPV, EBV, Hepatitis B and C, and Kaposi’s Sarcoma-associated Herpesvirus (KSHV). The text delves into the molecular processes through which these viruses initiate and sustain cancerous growth, offering insights into viral integration, immune evasion, and cellular transformation. With a focus on the latest developments in therapeutic strategies, Viral Oncology covers innovative approaches, including targeted molecular therapies, immunotherapies, gene editing techniques, and personalized medicine strategies aimed at halting virus-induced tumorigenesis. Designed for a broad audience of oncologists, virologists, molecular biologists, and clinical researchers, this text provides a thorough understanding of the epidemiology, pathology, and treatment implications of viral oncology. It serves as an indispensable guide to the mechanisms of virus-driven cancers and how these insights are being translated into cutting-edge therapeutic interventions. With its rich blend of cutting-edge science, clinical applications, and visionary outlook, Viral Oncology: New Approaches to Molecular Cancer Therapeutics is an essential resource for any professional involved in cancer research, diagnostics, and treatment. Whether you are a seasoned oncologist, virologist, or a researcher investigating the molecular basis of cancer, this book offers the latest knowledge and tools to effectively understand and combat virus-induced malignancies. Stay at the forefront of the rapidly evolving field of viral oncology with this comprehensive and forward-looking text – a definitive resource for understanding the interplay between viruses and cancer, and harnessing that knowledge for therapeutic innovation.

Artificial Intelligence For Drug Discovery And Development

DOWNLOAD
Author : Jianfeng Pei
language : en
Publisher: Frontiers Media SA
Release Date : 2021-11-16

Artificial Intelligence For Drug Discovery And Development written by Jianfeng Pei and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-11-16 with Science categories.

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.