Structure Activity Relationships In Environmental Sciences
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Author | : M. Nendza |
Publisher | : Springer Science & Business Media |
Total Pages | : 279 |
Release | : 2012-12-06 |
Genre | : Science |
ISBN | : 1461558050 |
Structure-Activity Relationships in Environmental Science is the first book of its kind that brings together information from a variety of sources into one document. It provides a comprehensive overview of the entire field of quantitative structure-activity relationships (QSARs) as well as being a reference for SAR experts. The book comprises three parts. Part One covers the theoretical background of structure-activity studies and Part Two deals with the practical applications of such methods in the environmental sciences. Part Three critically discusses SAR models with respect to their reliability and their aptness in environmental hazard and risk assessment. Recommendations are made as to which model to use and the case is presented for using QSARs in hazard assessment. The use of QSARs is becoming increasingly important since there is little experimental data available on environmentally relevant chemicals. Structure-Activity Relationships in Environmental Sciences will thus serve as an invaluable guide to both postgraduate and research scientists as well as professional ecologists.
Author | : Roy, Kunal |
Publisher | : IGI Global |
Total Pages | : 727 |
Release | : 2015-02-28 |
Genre | : Technology & Engineering |
ISBN | : 1466681373 |
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 | : David J. Hoffman |
Publisher | : CRC Press |
Total Pages | : 1316 |
Release | : 2002-11-13 |
Genre | : Science |
ISBN | : 142003250X |
Completely revised and updated with 18 new chapters, this second edition includes contributions from over 75 international experts. Also, a Technical Review Board reviewed all manuscripts for accuracy and currency. Focusing on toxic substance and how they affect the ecosystems worldwide, the book presents methods for quantifying and measuring ecotoxicological effects in the field and in the lab, as well as methods for estimating, predicting, and modeling in ecotoxicology studies. This is the definitive reference for students, researchers, consultants, and other professionals in the environmental sciences, toxicology, chemistry, biology, and ecology - in academia, industry, and government.
Author | : H. Jphn Smith |
Publisher | : CRC Press |
Total Pages | : 684 |
Release | : 2005-10-10 |
Genre | : Medical |
ISBN | : 0203304152 |
Advances in knowledge and technology have revolutionized the process of drug development, making it possible to design drugs for a given target or disease. Building on the foundation laid by the previous three editions, Smith and Williams Introduction to the Principles of Drug Design and Action, Fourth Edition includes the latest informatio
Author | : Kunal Roy |
Publisher | : Springer |
Total Pages | : 555 |
Release | : 2017-05-22 |
Genre | : Science |
ISBN | : 3319568507 |
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.
Author | : |
Publisher | : |
Total Pages | : 1490 |
Release | : 2003 |
Genre | : Environmental health |
ISBN | : |
Author | : L. Eriksson |
Publisher | : Umetrics Academy |
Total Pages | : 509 |
Release | : 2013-07-01 |
Genre | : Mathematics |
ISBN | : 9197373052 |
To understand the world around us, as well as ourselves, we need to measure many things, many variables, many properties of the systems and processes we investigate. Hence, data collected in science, technology, and almost everywhere else are multivariate, a data table with multiple variables measured on multiple observations (cases, samples, items, process time points, experiments). This book describes a remarkably simple minimalistic and practical approach to the analysis of data tables (multivariate data). The approach is based on projection methods, which are PCA (principal components analysis), and PLS (projection to latent structures) and the book shows how this works in science and technology for a wide variety of applications. In particular, it is shown how the great information content in well collected multivariate data can be expressed in terms of simple but illuminating plots, facilitating the understanding and interpretation of the data. The projection approach applies to a variety of data-analytical objectives, i.e., (i) summarizing and visualizing a data set, (ii) multivariate classification and discriminant analysis, and (iii) finding quantitative relationships among the variables. This works with any shape of data table, with many or few variables (columns), many or few observations (rows), and complete or incomplete data tables (missing data). In particular, projections handle data matrices with more variables than observations very well, and the data can be noisy and highly collinear. Authors: The five authors are all connected to the Umetrics company (www.umetrics.com) which has developed and sold software for multivariate analysis since 1987, as well as supports customers with training and consultations. Umetrics' customers include most large and medium sized companies in the pharmaceutical, biopharm, chemical, and semiconductor sectors.
Author | : Kunal Roy |
Publisher | : John Wiley & Sons |
Total Pages | : 596 |
Release | : 2022-01-06 |
Genre | : Science |
ISBN | : 1119681596 |
CHEMOMETRICS AND CHEMINFORMATICS IN AQUATIC TOXICOLOGY Explore chemometric and cheminformatic techniques and tools in aquatic toxicology Chemometrics and Cheminformatics in Aquatic Toxicology delivers an exploration of the existing and emerging problems of contamination of the aquatic environment through various metal and organic pollutants, including industrial chemicals, pharmaceuticals, cosmetics, biocides, nanomaterials, pesticides, surfactants, dyes, and more. The book discusses different chemometric and cheminformatic tools for non-experts and their application to the analysis and modeling of toxicity data of chemicals to various aquatic organisms. You’ll learn about a variety of aquatic toxicity databases and chemometric software tools and webservers as well as practical examples of model development, including illustrations. You’ll also find case studies and literature reports to round out your understanding of the subject. Finally, you’ll learn about tools and protocols including machine learning, data mining, and QSAR and ligand-based chemical design methods. Readers will also benefit from the inclusion of: A thorough introduction to chemometric and cheminformatic tools and techniques, including machine learning and data mining An exploration of aquatic toxicity databases, chemometric software tools, and webservers Practical examples and case studies to highlight and illustrate the concepts contained within the book A concise treatment of chemometric and cheminformatic tools and their application to the analysis and modeling of toxicity data Perfect for researchers and students in chemistry and the environmental and pharmaceutical sciences, Chemometrics and Cheminformatics in Aquatic Toxicology will also earn a place in the libraries of professionals in the chemical industry and regulators whose work involves chemometrics.
Author | : Chris J Rhodes |
Publisher | : CRC Press |
Total Pages | : 514 |
Release | : 2000-02-24 |
Genre | : Science |
ISBN | : 9780748409167 |
The environment in which human beings live is complex and we may encounter many different potentially toxic chemical substances during the course of our lives. These xenobiotic agents may invade the living system in the form of environmental pollutants, in the diet, as pharmaceutically administered compounds or even as chemical weapons and it is becoming widely recognised that free radicals are often involved in this toxicity. The book covers all aspects of toxic agents in the environment from their detection to their effects. Final year undergraduates and postgraduates studying toxicology, biochemistry, cell biology or environmental science will find this book valuable reading, whilst researchers in academia, the pharmaceutical industry, and public health laboratories will appreciate it as a comprehensive reference.
Author | : Roberto Todeschini |
Publisher | : John Wiley & Sons |
Total Pages | : 1257 |
Release | : 2009-10-30 |
Genre | : Science |
ISBN | : 9783527628773 |
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.