Author: Kunal Roy
Publisher: Academic Press
ISBN: 0128016337
Category : Medical
Languages : en
Pages : 494
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Book Description
Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment describes the historical evolution of quantitative structure-activity relationship (QSAR) approaches and their fundamental principles. This book includes clear, introductory coverage of the statistical methods applied in QSAR and new QSAR techniques, such as HQSAR and G-QSAR. Containing real-world examples that illustrate important methodologies, this book identifies QSAR as a valuable tool for many different applications, including drug discovery, predictive toxicology and risk assessment. Written in a straightforward and engaging manner, this is the ideal resource for all those looking for general and practical knowledge of QSAR methods. - Includes numerous practical examples related to QSAR methods and applications - Follows the Organization for Economic Co-operation and Development principles for QSAR model development - Discusses related techniques such as structure-based design and the combination of structure- and ligand-based design tools
Author: Kunal Roy
Publisher: Springer
ISBN: 3319172816
Category : Science
Languages : en
Pages : 129
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Book Description
This brief goes back to basics and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that represent predictive models derived from the application of statistical tools correlating biological activity (including therapeutic and toxic) and properties of chemicals (drugs/toxicants/environmental pollutants) with descriptors representative of molecular structure and/or properties. It explains how the sub-discipline of Cheminformatics is used for many applications such as risk assessment, toxicity prediction, property prediction and regulatory decisions apart from drug discovery and lead optimization. The authors also present, in basic terms, how QSARs and related chemometric tools are extensively involved in medicinal chemistry, environmental chemistry and agricultural chemistry for ranking of potential compounds and prioritizing experiments. At present, there is no standard or introductory publication available that introduces this important topic to students of chemistry and pharmacy. With this in mind, the authors have carefully compiled this brief in order to provide a thorough and painless introduction to the fundamental concepts of QSAR/QSPR modelling. The brief is aimed at novice readers.
Author: Huixiao Hong
Publisher: Elsevier
ISBN: 044315340X
Category : Science
Languages : en
Pages : 566
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Book Description
QSAR in Safety Evaluation and Risk Assessment provides comprehensive coverage on QSAR methods, tools, data sources, and models focusing on applications in products safety evaluation and chemicals risk assessment. Organized into five parts, the book covers almost all aspects of QSAR modeling and application. Topics in the book include methods of QSAR, from both scientific and regulatory viewpoints; data sources available for facilitating QSAR models development; software tools for QSAR development; and QSAR models developed for assisting safety evaluation and risk assessment. Chapter contributors are authored by a lineup of active scientists in this field. The chapters not only provide professional level technical summarizations but also cover introductory descriptions for all aspects of QSAR for safety evaluation and risk assessment. - Provides comprehensive content about the QSAR techniques and models in facilitating the safety evaluation of drugs and consumer products and risk assesment of environmental chemicals - Includes some of the most cutting-edge methodologies such as deep learning and machine learning for QSAR - Offers detailed procedures of modeling and provides examples of each model's application in real practice
Author: Marcelo Larramendy
Publisher: BoD – Books on Demand
ISBN: 1789234182
Category : Medical
Languages : en
Pages : 124
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Book Description
This book is designed to provide an overview of the different genotoxicants and their effects on living organisms, including humans. The contributions made by the specialists in this field of research are gratefully acknowledged. We hope that the information presented in this book will meet the expectations and needs of all those interested in the different aspects of the genotoxicity field. The publication of this book is of great importance to those scientists, pharmacologists, physicians and veterinarians, as well as engineers, teachers, graduate students and administrators of environmental programmes, who make use of these investigations to understand both the basic and applied genotoxic aspects of known and new xenobiotics, and to guide them in their future investigations.
Author: Raja Chakraborty
Publisher: Bentham Science Publishers
ISBN: 981513633X
Category : Medical
Languages : en
Pages : 332
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Book Description
New Avenues in Drug Discovery and Bioactive Natural Products is the second volume of the Natural Medicine book series. It is devoted to current research in drug discovery from natural sources. The volume features 13 chapters that cover modern analytical and scientific approaches. The book starts with chapters on advanced analytical and research techniques, such as genomic mining, quality control of herbal drugs, DNA fingerprinting, high-throughput screening, molecular docking and extraction techniques. The contributors provide a summary of challenges for researchers and commercial applications where possible. The book also features chapters dedicated to specific medicinal agents that target a disease (glycosides, SARS-CoV2 spike protein inhibitors, and andrographolides. The collection of important research topics in natural product chemistry aims to help the scholars and researchers in the scientific community that are involved in the extraction and development of new medicines.
Author: Dastmalchi, Siavoush
Publisher: IGI Global
ISBN: 1522501169
Category : Medical
Languages : en
Pages : 477
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Book Description
The role of technology in the medical field has resulted in significant developments within the pharmaceutical industry. Computational approaches have emerged as a crucial method in further advancing drug design and development. Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery presents emerging research on the application of computer-assisted design methods for drugs, emphasizing the benefits and improvements that molecular docking has caused within the pharmaceutical industry. Focusing on validation methods, search algorithms, and scoring functions, this book is a pivotal resource for professionals, researchers, students, and practitioners in the field of theoretical and computational chemistry.
Author: Ana Patricia Ferreira
Publisher: Academic Press
ISBN: 012811066X
Category : Medical
Languages : en
Pages : 465
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Book Description
Multivariate Analysis in the Pharmaceutical Industry provides industry practitioners with guidance on multivariate data methods and their applications over the lifecycle of a pharmaceutical product, from process development, to routine manufacturing, focusing on the challenges specific to each step. It includes an overview of regulatory guidance specific to the use of these methods, along with perspectives on the applications of these methods that allow for testing, monitoring and controlling products and processes. The book seeks to put multivariate analysis into a pharmaceutical context for the benefit of pharmaceutical practitioners, potential practitioners, managers and regulators. Users will find a resources that addresses an unmet need on how pharmaceutical industry professionals can extract value from data that is routinely collected on products and processes, especially as these techniques become more widely used, and ultimately, expected by regulators. - Targets pharmaceutical industry practitioners and regulatory staff by addressing industry specific challenges - Includes case studies from different pharmaceutical companies and across product lifecycle of to introduce readers to the breadth of applications - Contains information on the current regulatory framework which will shape how multivariate analysis (MVA) is used in years to come
Author: Roy, Kunal
Publisher: IGI Global
ISBN: 1466681373
Category : Technology & Engineering
Languages : en
Pages : 727
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Book Description
Quantitative structure-activity relationships (QSARs) represent predictive models derived from the application of statistical tools correlating biological activity or other properties of chemicals with descriptors representative of molecular structure and/or property. Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment discusses recent advancements in the field of QSARs with special reference to their application in drug development, predictive toxicology, and chemical risk analysis. Focusing on emerging research in the field, this book is an ideal reference source for industry professionals, students, and academicians in the fields of medicinal chemistry and toxicology.
Author: Munish Puri
Publisher: Academic Press
ISBN: 0128017449
Category : Computers
Languages : en
Pages : 442
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Book Description
Artificial Neural Network for Drug Design, Delivery and Disposition provides an in-depth look at the use of artificial neural networks (ANN) in pharmaceutical research. With its ability to learn and self-correct in a highly complex environment, this predictive tool has tremendous potential to help researchers more effectively design, develop, and deliver successful drugs. This book illustrates how to use ANN methodologies and models with the intent to treat diseases like breast cancer, cardiac disease, and more. It contains the latest cutting-edge research, an analysis of the benefits of ANN, and relevant industry examples. As such, this book is an essential resource for academic and industry researchers across the pharmaceutical and biomedical sciences. - Written by leading academic and industry scientists who have contributed significantly to the field and are at the forefront of artificial neural network (ANN) research - Focuses on ANN in drug design, discovery and delivery, as well as adopted methodologies and their applications to the treatment of various diseases and disorders - Chapters cover important topics across the pharmaceutical process, such as ANN in structure-based drug design and the application of ANN in modern drug discovery - Presents the future potential of ANN-based strategies in biomedical image analysis and much more
Author: Vaseashta, Ashok
Publisher: IGI Global
ISBN: 1799873579
Category : Science
Languages : en
Pages : 728
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Book Description
Water supports three basic pillars of our life and survival: safety, security, and sustainability. Hence, it is extremely important to revisit the fundamental characteristics of water in order to discover additional information and the characteristics water has that will help uncover pathways to support the United Nations Sustainable Development Goals (UN SDG) to reduce inequality and make cities and human settlements more inclusive, safe, resilient, and sustainable. Clean water is a critical component to meet such goals. While the fundamental physical and chemical properties of water continue to reveal new aspects, it is critical that we review these properties in the context of several recent applications and by case studies. The Handbook of Research on Water Sciences and Society provides the basics of water science, ways to sense/detect and mitigate contaminants, several regional case studies, and societal aspects of water, including the human right to access water. The book serves as a comprehensive knowledge base on the latest fundamental and applied research and scientific innovations regarding the relationships between society and water resources, safe and sustainable use of water, watershed stewardship, industrial application, and public health awareness. Covering a wide range of topics, it is an ideal resource for researchers, professionals, policymakers, scientists, practitioners, instructors, and students.
