Chemometrics And Cheminformatics In Aquatic Toxicology

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Chemometrics And Cheminformatics In Aquatic Toxicology
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Author : Kunal Roy
language : en
Publisher: John Wiley & Sons
Release Date : 2022-01-06
Chemometrics And Cheminformatics In Aquatic Toxicology written by Kunal Roy and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-01-06 with Science categories.
Das Buch Chemometrics and Cheminformatics in Aquatic Toxicology befasst sich mit den bestehenden und neu auftretenden Problemen der Verschmutzung der aquatischen Umwelt durch verschiedene metallische und organische Schadstoffe, insbesondere Industriechemikalien, Pharmazeutika, Kosmetika, Biozide, Nanomaterialien, Pestizide, Tenside, Farbstoffe und viele weitere. Es werden verschiedene chemometrische und cheminformatische Instrumente für Laien beschrieben mitsamt ihrer Anwendung auf die Analyse und Modellierung der Toxizitätsdaten von Chemikalien in Bezug auf unterschiedliche aquatische Organismen. Eine Reihe von Datenbanken zur aquatischen Toxizität sowie chemometrische Softwaretools und Webserver werden vorgestellt und praktische Beispiele für die Modellentwicklung gegeben, einschließlich der entsprechenden Abbildungen. Darüber hinaus enthält das Werk Fallstudien und Literaturberichte, um das Verständnis des Themas abzurunden. Außerdem lernen die Leserinnen und Leser Werkzeuge und Protokolle wie maschinelles Lernen, Data Mining sowie Methoden des QSAR-basierten und ligandenbasierten chemischen Designs kennen. Darüber hinaus bietet das Werk: * Eine umfassende Einführung in chemometrische und cheminformatische Instrumente und Techniken, insbesondere maschinelles Lernen und Data Mining * Eine Darstellung von Datenbanken zur aquatischen Toxizität, chemometrischen Softwaretools und Webservern * Praktische Beispiele und Fallstudien zur Verdeutlichung und Veranschaulichung der im Buch enthaltenen Konzepte * Eine kompakte Erläuterung der chemometrischen und cheminformatischen Instrumente sowie ihrer Anwendung auf die Analyse und Modellierung von Toxizitätsdaten Chemometrics and Cheminformatics in Aquatic Toxicology ist ideal für Forschende und Studierende der Chemie sowie der Umwelt- und Pharmawissenschaften und sollte auch in den Bibliotheken von Fachleuten in der chemischen Industrie sowie Aufsichtsbehörden, die sich mit Chemometrie beschäftigen, einen Platz finden.
Molecular Descriptors For Chemoinformatics
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Author : Roberto Todeschini
language : en
Publisher: John Wiley & Sons
Release Date : 2009-10-30
Molecular Descriptors For Chemoinformatics written by Roberto Todeschini and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-10-30 with Science categories.
The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past six years has been painstakingly surveyed, resulting in hundreds of new descriptors being added to the list, and some 3,000 new references in the bibliography section. Volume 1 contains an alphabetical listing of more than 3300 descriptors and related terms for chemoinformatic analysis of chemical compound properties, while the second volume lists over 6,000 references selected from 450 journals. To make the data even more accessible, the introductory section has been completely re-written and now contains several "walk-through" reading lists of selected keywords for novice users.
Early Drug Development 2 Volume Set
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Author : Fabrizio Giordanetto
language : en
Publisher: John Wiley & Sons
Release Date : 2018-12-10
Early Drug Development 2 Volume Set written by Fabrizio Giordanetto and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-12-10 with Science categories.
This one-stop reference systematically covers key aspects in early drug development that are directly relevant to the discovery phase and are required for first-in-human studies. Its broad scope brings together critical knowledge from many disciplines, ranging from process technology to pharmacology to intellectual property issues. After introducing the overall early development workflow, the critical steps of early drug development are described in a sequential and enabling order: the availability of the drug substance and that of the drug product, the prediction of pharmacokinetics and -dynamics, as well as that of drug safety. The final section focuses on intellectual property aspects during early clinical development. The emphasis throughout is on recent case studies to exemplify salient points, resulting in an abundance of practice-oriented information that is usually not available from other sources. Aimed at medicinal chemists in industry as well as academia, this invaluable reference enables readers to understand and navigate the challenges in developing clinical candidate molecules that can be successfully used in phase one clinical trials.
Chemistry And Bioactive Components Of Turmeric
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Author : Sreeraj Gopi
language : en
Publisher: Royal Society of Chemistry
Release Date : 2020-10-15
Chemistry And Bioactive Components Of Turmeric written by Sreeraj Gopi 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 2020-10-15 with Technology & Engineering categories.
Turmeric belongs to the family Zingiberaceae and is a yellow spice of high economic importance due to its medicinal value. Cultivated in tropical and sub-tropical regions around the world, it is used extensively as a colouring, flavouring and preserving agent. In recent years, several drugs derived from natural products have been developed and current drug research is actively investigating the possible therapeutic roles of many Ayurvedic medicines, most notable among those being examined is turmeric. The wide range of pharmacological activities attributed to turmeric come mainly from curcuminoids and two related compounds, demethoxycurcumin and bisdemethoxycurcumin. This comprehensive book brings together the research carried out on constituents obtained from turmeric and highlights their chemical and biological activities. Comprising 17 chapters, each written by experts in their respective field and curated by authorities, it will be invaluable to all those who are involved in the production, processing, marketing, and the use of turmeric. Appealing to researchers and professionals in natural products, nutraceuticals and food chemists, this book is exposing some of the myths and showing areas for possible future use.
An Introduction To Aquatic Toxicology
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Author : Mikko Nikinmaa
language : en
Publisher: Elsevier
Release Date : 2014-07-01
An Introduction To Aquatic Toxicology written by Mikko Nikinmaa and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-07-01 with Science categories.
An Introduction to Aquatic Toxicology is an introductory reference for all aspects of toxicology pertaining to aquatic environments. As water sources diminish, the need to understand the effects that contaminants may have on aquatic organisms and ecosystems increases in importance. This book will provide you with a solid understanding of aquatic toxicology, its past, its cutting-edge present and its likely future. An Introduction to Aquatic Toxicology will introduce you to the global issue of aquatic contamination, detailing the major sources of contamination, from where they originate, and their effects on aquatic organisms and their environment. State-of-the-art toxicological topics covered include nanotoxicology, toxicogenomics, bioinformatics, transcriptomics, metabolomics, as well as water management and the toxicological effects of major environmental issues such as algal blooms, climate change and ocean acidification. This book is intended for anyone who wants to know more about the impact of toxicants on aquatic organisms and ecosystems, or to keep up to date with recent and future developments in the field. - Provides with the latest perspectives on the impacts of toxicants on aquatic environments, such as nanotoxicology, toxicogenomics, ocean acidification and eutrophication - Offers a complete overview, beginning with the origins of aquatic toxicology and concluding with potential future challenges - Includes guidance on testing methods and a glossary of aquatic toxicology terms
Applied Chemoinformatics
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Author : Thomas Engel
language : en
Publisher: John Wiley & Sons
Release Date : 2018-04-19
Applied Chemoinformatics written by Thomas Engel and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-04-19 with Science categories.
Edited by world-famous pioneers in chemoinformatics, this is a clearly structured and applications-oriented approach to the topic, providing up-to-date and focused information on the wide range of applications in this exciting field. The authors explain methods and software tools, such that the reader will not only learn the basics but also how to use the different software packages available. Experts describe applications in such different fields as structure-spectra correlations, virtual screening, prediction of active sites, library design, the prediction of the properties of chemicals, the development of new cosmetics products, quality control in food, the design of new materials with improved properties, toxicity modeling, assessment of the risk of chemicals, and the control of chemical processes. The book is aimed at advanced students as well as lectures but also at scientists that want to learn how chemoinformatics could assist them in solving their daily scientific tasks. Together with the corresponding textbook Chemoinformatics - Basic Concepts and Methods (ISBN 9783527331093) on the fundamentals of chemoinformatics readers will have a comprehensive overview of the field.
Aquatic Toxicology In Freshwater
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Author : Muhammed Atamanalp
language : en
Publisher: Springer Nature
Release Date : 2024-06-26
Aquatic Toxicology In Freshwater written by Muhammed Atamanalp and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-06-26 with Science categories.
This book will provide an important source of practical information on the history of toxicology, the ways in which pollutants reach model organisms used in toxicology, sampling methods for research, mechanisms of toxicity and responses of aquatic organisms to toxic agents, as well as the use of therapeutic agents in current approaches. Determining the importance of environmentally friendly substances on antioxidant defense is an obvious area of future research. The combined use of a biomarkers range that can indicate exposure to pollutants and measure their effects on living organisms enables a more comprehensive and integrative assessment of indicator organisms in the aquatic environment, both biochemically and cellularly. In conclusion, the multiple biomarker approach had received great interest in ecotoxicological research and had recently been adapted to both field and laboratory studies.
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
Mixture Toxicity
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Author : Cornelis A. M. van Gestel
language : en
Publisher: CRC Press
Release Date : 2016-04-19
Mixture Toxicity written by Cornelis A. M. van Gestel and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-04-19 with Medical categories.
In the last decade and a half, great progress has been made in the development of concepts and models for mixture toxicity, both in human and environmental toxicology. However, due to their different protection goals, developments have often progressed in parallel but with little integration. Arguably the first book to clearly link ecotoxicology an
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.