Understanding The Basics Of Qsar For Applications In Pharmaceutical Sciences And Risk Assessment
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Understanding The Basics Of Qsar For Applications In Pharmaceutical Sciences And Risk Assessment
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Author : Kunal Roy
language : en
Publisher: Academic Press
Release Date : 2015-03-03
Understanding The Basics Of Qsar For Applications In Pharmaceutical Sciences And Risk Assessment written by Kunal Roy and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-03-03 with Medical categories.
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
Qsar In Safety Evaluation And Risk Assessment
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Author : Huixiao Hong
language : en
Publisher: Elsevier
Release Date : 2023-08-12
Qsar In Safety Evaluation And Risk Assessment written by Huixiao Hong and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-08-12 with Science categories.
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
Aggregation Of Luminophores In Supramolecular Systems
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Author : Neetu Tripathi
language : en
Publisher: CRC Press
Release Date : 2020-05-06
Aggregation Of Luminophores In Supramolecular Systems written by Neetu Tripathi and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-05-06 with Science categories.
Supramolecular aggregation—driven by weak non-covalent interactions, such as van der Waals, π–π interactions, hydrogen bonding, and electrostatic—has been utilized to build sensing platforms with improved selectivity and sensitivity. Supramolecular aggregates, owing to cooperative interactions, higher sensitivity and selectivity, relatively weak and dynamic non-covalent interactions, and environmental adaptation, have achieved better sensing performance than that of molecular sensory systems that rely on sensors with delicate structures. Aggregation of Luminophores in Supramolecular System: From Mechanisms to Applications describes recent advances in supramolecular chemistry, in which the luminophores are almost non-luminescent in the molecular state, but become highly emissive in the aggregate state. These advances bring new opportunities and challenges for the development of supramolecular chemistry. The intermolecular non-covalent interactions have been considered to be the main driving forces for fabricating supramolecular systems with aggregating luminophores and have an important influence on the luminescence properties of the probes. Based on these unique properties, luminescent supramolecular aggregates have greatly promoted the development of novel materials for applications as sensors, bio-imaging agents, organic electronic devices, and in the field of drug delivery. Features: Discussion of fundamental and interdisciplinary aspects of the aggregation in supramolecular systems. Narration of intermolecular interactions and the photophysical phenomenon of aggregation in supramolecular systems. Comparative discussion on recent developments in aggregation-induced quenching (AIQ) and aggregation-induced emission (AIE), and drawbacks of AIQ. Description of the technological applications of aggregation as biological sensors, chemical sensors, organic electronic materials, and in the field of drug delivery. A convenient format for checking formulas and definitions. This book surveys highlights of the progress made in the field of the aggregation of luminophores in supramolecular chemistry. It is hoped that the work will form a foundation (and indeed a motivation) for new workers in the area, as well as also being useful to experienced supramolecular chemists. It may also aid workers in the biological area to see Nature’s aggregation in a new light. Further, the approach employed has been designed to provide readable background material for use with graduates, senior undergraduates, research professionals, and industries.
Dietary Polyphenols In Human Diseases
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Author : Mithun Rudrapal
language : en
Publisher: CRC Press
Release Date : 2022-12-29
Dietary Polyphenols In Human Diseases written by Mithun Rudrapal and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-12-29 with Medical categories.
Diets rich in plant polyphenols or dietary polyphenols are the subject of increasing scientific interest because of their diverse range of health benefits and medicinal uses. This book, Dietary Polyphenols in Human Diseases: Advances and Challenges in Drug Discovery, fills the gap that exists in the current knowledge by presenting the latest information in the area of polyphenol-based drug discovery research. The book focuses on the current understanding of the beneficial effects on human health of diets rich in polyphenols and/or polyphenolic compounds derived from dietary sources (plant-based foods) and their possible preventive role in the management of chronic human diseases. In addition, biochemical mechanisms involved in the antioxidative effect of dietary polyphenols along with their bioavailability, pharmacokinetic, and toxicological considerations are also discussed herein. Key Features Presents health benefits and medicinal importance of dietary polyphenols having antioxidative effects and their possible preventive role against oxidative stress (OS)-induced chronic human diseases. Summarizes the latest understanding of the biochemical mechanism(s) involved in the antioxidative action of dietary polyphenols along with their bioavailability, pharmacokinetic, and toxicological considerations. Highlights novel approaches of drug discovery from dietary polyphenols through computational screening of bioactive phytochemical components. With contributions by a global team of experts (academics, scientists, and researchers), this book is intended to be a useful resource for a wider audience, particularly those working in the area of drug discovery and development research, such as discovery scientists, pharmaceutical scientists (R&D), formulation scientists, medicinal chemists, pharmacologists, toxicologists, phytochemists, biochemists, clinicians, researchers, students, teachers, and many others.
Algorithms For Computational Biology
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Author : Carlos Martín-Vide
language : en
Publisher: Springer Nature
Release Date : 2020-03-23
Algorithms For Computational Biology written by Carlos Martín-Vide and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-03-23 with Computers categories.
This book constitutes the proceedings of the 7th International Conference on Algorithms for Computational Biology, AlCoB 2020, was planned to be held in Missoula, MT, USA in April 2020. Due to the corona pandemic the conference was postponed to be held together with AlCoB 2021. The 15 full papers included in this volume were carefully reviewed and selected from 24 submissions. They were organized in topical sections on genomics, phylogenetics, and RNA-Seq and other biological processes.
Computational Approaches In Biotechnology And Bioinformatics
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Author : Pranav Deepak Pathak
language : en
Publisher: CRC Press
Release Date : 2024-05-27
Computational Approaches In Biotechnology And Bioinformatics written by Pranav Deepak Pathak and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-05-27 with Technology & Engineering categories.
Volume 1 of Computational Approaches in Bioengineering—Computational Approaches in Biotechnology and Bioinformatics—explores many significant topics of biomedical engineering and bioinformatics in an easily understandable format. It explores recent developments and applications in bioinformatics, biomechanics, artificial intelligence (AI), signal processing, wearable sensors, biomaterials, cell biology, synthetic biology, biostatistics, prosthetics, big data, and algorithms. From applications of biomaterials in advanced drug delivery systems to the role of big data, AI, and machine learning in disease diagnosis and treatment, the book will help readers understand how these technologies are being applied across the areas of biomedical engineering, bioinformatics, and healthcare. The chapters also include case studies on the role of medical robots in surgery and the determination of protein structure using genetic algorithms. The contributors are all leading experts across multiple disciplines and provide chapters that truly represent a complete view of these state-of-the-art technologies. FEATURES Covers a wide range of subjects from biomedical engineering like wearable devices, biomaterials, synthetic biology, phytochemical extraction, and prosthetics Explores AI, machine learning, big data analysis, and algorithms in biomedical engineering and bioinformatics in an easily understandable format Includes case studies on the role of medical robots in surgery and the determination of protein structure using genetic algorithms Discusses genetic diagnosis, classification, and risk prediction in cancer using next-generation sequencing in oncology This book is ideally designed for biomedical professionals, biomedical engineers, healthcare professionals, data engineers, clinicians, physicians, medical students, hospital directors, clinical researchers, and others who work in the field of artificial intelligence, bioinformatics, and computational biology.
Phytochemistry Computational Tools And Databases In Drug Discovery
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Author : Chukwuebuka Egbuna
language : en
Publisher: Elsevier
Release Date : 2022-11-30
Phytochemistry Computational Tools And Databases In Drug Discovery written by Chukwuebuka Egbuna and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-11-30 with Science categories.
Phytochemistry, Computational Tools and Databases in Drug Discovery presents the state-of-the-art in computational methods and techniques for drug discovery studies from medicinal plants. Various tools and databases for virtual screening and characterization of plant bioactive compounds and their subsequent predictions on biological targets for the discovery of new drugs against specific diseases are presented, along with computational tools for the prediction of the toxic effects of phytochemicals on living systems. The book also provides in-depth insight on the applications of these computational tools as well as the databases that describe the interactions of phytochemicals with diseases along with predictions for druggable bioactive compounds. Useful for drug developers, medicinal chemists, toxicologists, phytochemists, plant biochemists and analytical chemists, this book clearly presents the various computational techniques, tools and databases for phytochemical research. - Provides the various databases, methods and procedures for computational drug discovery in plants - Includes insights into the predictors for properties of phytochemicals against different diseases - Discusses the applications of computational tools and their databases
Endophytic Fungi
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Author : Ahmed M. Abdel Azeem
language : en
Publisher: Academic Press
Release Date : 2024-08-07
Endophytic Fungi written by Ahmed M. Abdel Azeem and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-08-07 with Science categories.
Endophytic Fungi: The Full Story of the Untapped Treasure covers the developments in endophytic fungal research from beginning to the end by the eminent researchers involved in the field. It sheds light on the endophytic fungal current research, challenges, and future possibilities, the trending recent topics in the plant-fungal endophytes' biodynamics for sustainable development of bioproducts and its applications are supported in large-scale biosynthesis of industrially and pharmaceutical important biomolecules.Endophytic Fungi: The Full Story of the Untapped Treasure highlights the bioprospecting and applied aspects of endophytic fungal communities from diverse hosts and discusses the practical applications of such endophytes in detail. It also reviews recent strategies on alternative sustainable sources of medicines such as secondary metabolites of fungi instead of over collection of plants under prohibiting of biodiversity conventions. The uniqueness of this book is the inclusion of updated bioinformatics-based strategies and its importance in bioactive molecules produced by endophytic fungi. The book addresses one of the most eminent issues in this field: how to translate the potential that endophytic fungi hold in stable practical application. - Covers major concepts of plant-fungi interaction, biodiversity of endophytic fungi from diverse and biotechnological applications for sustainable development - Is extensively illustrated and clearly written, using easy-to-understand language, sharing the latest developments and potential of fungal products for various applications - Sheds light on the endophytic fungal current research, challenges, and future possibilities
Current Trends In Computational Modeling For Drug Discovery
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Author : Supratik Kar
language : en
Publisher: Springer Nature
Release Date : 2023-06-30
Current Trends In Computational Modeling For Drug Discovery written by Supratik Kar and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-06-30 with Science categories.
This contributed volume offers a comprehensive discussion on how to design and discover pharmaceuticals using computational modeling techniques. The different chapters deal with the classical and most advanced techniques, theories, protocols, databases, and tools employed in computer-aided drug design (CADD) covering diverse therapeutic classes. Multiple components of Structure-Based Drug Discovery (SBDD) along with its workflow and associated challenges are presented while potential leads for Alzheimer’s disease (AD), antiviral agents, anti-human immunodeficiency virus (HIV) drugs, and leads for Severe Fever with Thrombocytopenia Syndrome Virus (SFTSV) disease are discussed in detail. Computational toxicological aspects in drug design and discovery, screening adverse effects, and existing or future in silico tools are highlighted, while a novel in silico tool, RASAR, which can be a major technique for small to big datasets when not much experimental data are present, is presented. The book also introduces the reader to the major drug databases covering drug molecules, chemicals, therapeutic targets, metabolomics, and peptides, which are great resources for drug discovery employing drug repurposing, high throughput, and virtual screening. This volume is a great tool for graduates, researchers, academics, and industrial scientists working in the fields of cheminformatics, bioinformatics, computational biology, and chemistry.
Machine Learning In Chemistry
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Author : Hugh M Cartwright
language : en
Publisher: Royal Society of Chemistry
Release Date : 2020-07-15
Machine Learning In Chemistry written by Hugh M Cartwright and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-07-15 with Science categories.
Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those in computer science departments, but more recently ML tools have been developed that show significant potential across wide areas of science. There is a growing consensus that ML software, and related areas of artificial intelligence, may, in due course, become as fundamental to scientific research as computers themselves. Yet a perception remains that ML is obscure or esoteric, that only computer scientists can really understand it, and that few meaningful applications in scientific research exist. This book challenges that view. With contributions from leading research groups, it presents in-depth examples to illustrate how ML can be applied to real chemical problems. Through these examples, the reader can both gain a feel for what ML can and cannot (so far) achieve, and also identify characteristics that might make a problem in physical science amenable to a ML approach. This text is a valuable resource for scientists who are intrigued by the power of machine learning and want to learn more about how it can be applied in their own field.