Download or read book Practical Applications of Quantitative Structure Activity Relationships QSAR in Environmental Chemistry and Toxicology written by W. Karcher and published by Springer Science & Business Media. This book was released on 1990-05-31 with total page 506 pages. Available in PDF, EPUB and Kindle. Book excerpt: Based on the Lectures given during the Eurocourse on `Practical Applications of Quantitative Structure-Activity (QSAR) in Environmental Chemistry and Toxicology' held at the Joint Research Centre Ispra, Italy, June 11--15, 1990

Download or read book QSAR written by Hugo Kubinyi and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: Finding the new remedy for a certain disease: an inspired goal. QSAR, an invaluable tool in drug design, aids scientists to attain this aim. This book is a long-awaited comprehensive text to QSAR and related approaches. It provides a practice-oriented introduction to the theory, methods and analyses for QSAR relationships, including modelling-based and 3D approaches. Hugo Kubinyi is a leading expert in QSAR. Readers will benefit from the author's 20 years of practical experience, from his careful calculations and recalculations of thousands of QSAR equations. Among the topics covered are: - physiocochemical parameters - quantitative models - statistical methods - Hansch analysis - Free Wilson analysis - 3D-QSAR approaches The book can readily be used as a textbook due to its high didactic value and numerous examples (over 200 equations and 1100 references).

Download or read book Quantitative Structure Activity Relationships of Drugs written by John Topliss and published by Elsevier. This book was released on 2012-12-02 with total page 535 pages. Available in PDF, EPUB and Kindle. Book excerpt: Medicinal Chemistry, Volume 19: Quantitative Structure-Activity Relationships of Drugs is a critical review of the applications of various quantitative structure-activity relationship (QSAR) methodologies in different drug therapeutic areas and discusses the results in terms of their contribution to medicinal chemistry. After briefly describing the developments in QSAR research, this 12-chapter volume goes on discussing the contributions of QSAR methodology in elucidating drug action and rational development of drugs against bacterial, fungal, viral, and other parasitic infections of man. Other chapters explore the mode of action and QSAR of antitumor, cardiovascular, antiallergic, antiulcer, antiarthritic, and nonsteroidal antiinflammatory drugs (NSAID) agents. The discussion then shifts to the pharmacologic effects and QSAR analysis of central nervous system agents, steroids, and other hormones. A chapter examines the major chemicals affecting insects and mites, with particular emphasis on the parameters of binding correlation and reactivity for insect and mite enzymes. The concluding chapters cover the limitations of the QSAR approach in the quantitative treatment of drug absorption, distribution, and metabolism. This volume is of great value to medicinal chemists, scientists, and researchers.

Download or read book Applied Chemoinformatics written by Thomas Engel and published by John Wiley & Sons. This book was released on 2018-06-05 with total page 660 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Predicting Chemical Toxicity and Fate written by Mark T.D. Cronin and published by CRC Press. This book was released on 2004-05-10 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative Structure-Activity Relationships (QSARs) are increasingly used to predict the harmful effects of chemicals to humans and the environment. The increased use of these methods in a variety of areas (academic, industrial, regulatory) results from a realization that very little toxicological or fate data is available on the vast amount of chemicals to which humans and the environment are exposed. Predicting Chemical Toxicity and Fate provides a comprehensive explanation of the state-of-the-art methods that are available to predict the effects of chemicals on humans and the environment. It describes the use of predictive methods to estimate the physiochemical properties, biological activities, and fate of chemicals. The methods described may be used to predict the properties of drugs before their development, and to predict the environmental effects of chemicals. These methods also reduce the cost of product development and the need for animal testing. This book fills an obvious need by providing a comprehensive explanation of these prediction methods. It is a practical book that illustrates the use of these techniques in real life scenarios. This book will demystify QSARs for those students unsure of them, and professionals in environmental toxicology and chemistry will find this a useful reference in their everyday working lives.

Download or read book Advances in QSAR Modeling written by Kunal Roy and published by Springer. This book was released on 2017-05-22 with total page 555 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book covers theoretical background and methodology as well as all current applications of Quantitative Structure-Activity Relationships (QSAR). Written by an international group of recognized researchers, this edited volume discusses applications of QSAR in multiple disciplines such as chemistry, pharmacy, environmental and agricultural sciences addressing data gaps and modern regulatory requirements. Additionally, the applications of QSAR in food science and nanoscience have been included – two areas which have only recently been able to exploit this versatile tool. This timely addition to the series is aimed at graduate students, academics and industrial scientists interested in the latest advances and applications of QSAR.

Download or read book Handbook of Detergents Part B written by Uri Zoller and published by CRC Press. This book was released on 2004-08-30 with total page 838 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second installment of the multivolume Handbook of Detergents deals with the potential environmental impact of detergents as a result of their production, formulation, usage, consumption, and disposal. This volume forms a comprehensive treatise on the multidimensional issues involved and emphasizes the alignment of scientific knowledge with the

Download or read book Molecular and Cellular Toxicology written by Lesley Stanley and published by John Wiley & Sons. This book was released on 2014-06-03 with total page 452 pages. Available in PDF, EPUB and Kindle. Book excerpt: Toxicology is the study of the adverse effects of chemical, physical, or biological agents on people, animals, and the environment. Toxicologists are trained to investigate, interpret, and communicate the nature of those effects. Over the last ten years the subject of toxicology has changed dramatically, moving from a discipline which was once firmly wedded to traditional methods to one which is keen to embrace the innovative techniques emerging from the developing fields of cell culture and molecular biology. There is an acute need for this to be reflected in a paradigm shift which takes advantage of the opportunities offered by modern developments in the life sciences, including new in vitro and in silico approaches, alternative whole organism (non-mammalian) models and the exploitation of ‘omics methods, high throughput screening (HTS) techniques and molecular imaging technologies. This concise, accessible introduction to the field includes the very latest concepts and methodologies. It provides MSc, PhD and final year undergraduate students in pharmacy, biomedical and life sciences, as well as individuals starting out in the cosmetics, consumer products, pharmaceutical and testing industries, with everything they need to know to get to grips with the fast moving field of toxicology and the current approaches used in the risk assessment of drugs and chemicals.

Download or read book Techniques in Aquatic Toxicology written by Gary K. Ostrander and published by CRC Press. This book was released on 1996-08-07 with total page 708 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a comprehensive gathering of measurement and assessment techniques for aquatic toxicants. Covering everything from ASTM and similar standard methods to new and innovative techniques, Techniques in Aquatic Toxicology provides necessary details on sampling, testing, and analysis in both saltwater and freshwater environments. Research scientists and field and laboratory technicians will find help in testing for everything from assessing DNA damage to bioaccumulation of common toxins to assays of fish embryos and fish tissues.

Download or read book QSAR written by Jean-Luc Fauchère and published by Alan R. Liss. This book was released on 1989 with total page 484 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment written by Kunal Roy and published by Academic Press. This book was released on 2015-03-03 with total page 494 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Download or read book In Vitro Toxicology written by Alok Dhawan and published by Academic Press. This book was released on 2017-11-13 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt: In Vitro Toxicology details the protocols and methods of in vitro testing, highlighting the usefulness of models, methods and the cost-effectiveness and reproducibility of such methodologies. The current approaches and strategies required to develop an easy, reliable, validated and high throughput system for use in alternative animal models to circumvent in vivo testing are discussed in detail. The book also includes chapters on the principles involved in the general selection and use of models that address safety concerns, regulatory acceptance and the current understandings and strategies for the identification of biomarkers in toxicity testing. Furthermore, principles involved in the general selection and use of models that address the issues of safety concerns and regulatory acceptance of these models are discussed, making the book beneficial to students, scientists, and regulators working in toxicology, as well as those in the field of chemicals and the safety assessment of novel materials. - Discusses new techniques and protocols in a clear and concise manner - includes examinations of nanotoxicity, genotoxicity and carcinogenicity - Explains practical laboratory methods and the theories behind in vitro testing

Download or read book QSAR in Environmental Toxicology written by K.L. Kaiser and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 407 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ever since Rachel Carson's Silent Spring, we have generally become aware of environmental contaminants and their effects on the ecosystem. The findin~ of PCB's in fish by Soren Jensen in Sweden, the recognition of mirex as contaminant in fish from Lake Ontario, and the discoveries of contaminant laden leachates from dumpsites such as the Love Canal have become milestones in the search for and charac terization of contaminants in our environment. At this time, the problem no longer is so much the identifi cation of contaminants and their sources. Rather, we are now faced with solving questions on the fates and effects of such compounds. This includes the search for mechanisms to deal effectively with the large number of chemicals already found in water, air and biota. One of such time and cost saving scientific avenues is the field of quantitative structure-activity correlations for the prediction of the environmental behavior and effects of compounds.

Download or read book Evaluation of Environmental Data for Regulatory and Impact Assessment written by S. Ramamoorthy and published by Elsevier. This book was released on 1991-01-14 with total page 477 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mounting concern for the state of the environment has led to a substantial increase in the collection of environmental data in the past two decades. This trend raises issues with regard to the quality assurance and quality control of the data gathering process, from sampling to analysis. The evaluation of environmental data in terms of quality, and relevance for use in the management of toxic chemicals in the enviroment, has reached a critical phase. An enormous volume of data is being generated, on both residue levels and their effects, to meet short- and long-term needs for regulatory procedures and (environmental) impact assessments. Therefore, it is important to verify not only the quality of the data collected, but also the choice of relevant test parameters. This volume deals with the evolution of analytical methodologies to the current state-of-the-art techniques, quality assurance/quality control of data acquirements, and testing procedures for screening of toxic chemicals - including their hazard identification, persistence, and fate processes in the environment. The models currently employed in environmental impact assessment and risk assessment are also discussed in detail. Public involvement and participation in regulatory decision-making processess is also described. It is intended for managers and scientists involved in environmental management and research of toxic chemicals in the environment.

Download or read book Current Catalog written by National Library of Medicine (U.S.) and published by . This book was released on with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt: First multi-year cumulation covers six years: 1965-70.

Download or read book Bioinformatics Tools for Pharmaceutical Drug Product Development written by Vivek Chavda and published by John Wiley & Sons. This book was released on 2023-03-14 with total page 452 pages. Available in PDF, EPUB and Kindle. Book excerpt: BIOINFORMATICS TOOLS FOR Pharmaceutical DRUG PRODUCT DLEVELOPMENT A timely book that details bioinformatics tools, artificial intelligence, machine learning, computational methods, protein interactions, peptide-based drug design, and omics technologies, for drug development in the pharmaceutical and medical sciences industries. The book contains 17 chapters categorized into 3 sections. The first section presents the latest information on bioinformatics tools, artificial intelligence, machine learning, computational methods, protein interactions, peptide-based drug design, and omics technologies. The following 2 sections include bioinformatics tools for the pharmaceutical sector and the healthcare sector. Bioinformatics brings a new era in research to accelerate drug target and vaccine design development, improving validation approaches as well as facilitating and identifying side effects and predicting drug resistance. As such, this will aid in more successful drug candidates from discovery to clinical trials to the market, and most importantly make it a more cost-effective process overall. Readers will find in this book: Applications of bioinformatics tools for pharmaceutical drug product development like process development, pre-clinical development, clinical development, commercialization of the product, etc.; The ever-expanding application of this novel technology and discusses some of the unique challenges associated with such an approach; The broad and deep background, as well as updates, on recent advances in both medicine and AI/ML that enable the application of these cutting-edge bioinformatics tools. Audience The book will be used by researchers and scientists in academia and industry including drug developers, computational biochemists, bioinformaticians, immunologists, pharmaceutical and medical sciences, as well as those in artificial intelligence and machine learning.

Download or read book Molecular Descriptors for Chemoinformatics written by Roberto Todeschini and published by John Wiley & Sons. This book was released on 2009-10-30 with total page 1257 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.