Big Data in Predictive Toxicology

Author: Daniel Neagu

Publisher: Issues in Toxicology

ISBN: 1782622985

Category: Big data

Page: 394

View: 115

The rate at which toxicological data is generated is continually becoming more rapid and the volume of data generated is growing dramatically. This is due in part to advances in software solutions and cheminformatics approaches which increase the availability of open data from chemical, biological and toxicological and high throughput screening resources. However, the amplified pace and capacity of data generation achieved by these novel techniques presents challenges for organising and analysing data output. Big Data in Predictive Toxicology discusses these challenges as well as the opportunities of new techniques encountered in data science. It addresses the nature of toxicological big data, their storage, analysis and interpretation. It also details how these data can be applied in toxicity prediction, modelling and risk assessment. This title is of particular relevance to researchers and postgraduates working and studying in the fields of computational methods, applied and physical chemistry, cheminformatics, biological sciences, predictive toxicology and safety and hazard assessment.
Big Data in Predictive Toxicology

Author: Andrea-Nicole Richarz

Publisher: Royal Society of Chemistry

ISBN: 9781839160820

Category: Medical

Page: 394

View: 408

The rate at which toxicological data is generated is continually becoming more rapid and the volume of data generated is growing dramatically. This is due in part to advances in software solutions and cheminformatics approaches which increase the availability of open data from chemical, biological and toxicological and high throughput screening resources. However, the amplified pace and capacity of data generation achieved by these novel techniques presents challenges for organising and analysing data output. Big Data in Predictive Toxicology discusses these challenges as well as the opportunities of new techniques encountered in data science. It addresses the nature of toxicological big data, their storage, analysis and interpretation. It also details how these data can be applied in toxicity prediction, modelling and risk assessment. This title is of particular relevance to researchers and postgraduates working and studying in the fields of computational methods, applied and physical chemistry, cheminformatics, biological sciences, predictive toxicology and safety and hazard assessment.
Big Data Analytics in Chemoinformatics and Bioinformatics

Author: Subhash C. Basak

Publisher: Elsevier

ISBN: 9780323857147

Category: Science

Page: 503

View: 228

Big Data Analytics in Chemoinformatics and Bioinformatics: With Applications to Computer-Aided Drug Design, Cancer Biology, Emerging Pathogens and Computational Toxicology provides an up-to-date presentation of big data analytics methods and their applications in diverse fields. The proper management of big data for decision-making in scientific and social issues is of paramount importance. This book gives researchers the tools they need to solve big data problems in these fields. It begins with a section on general topics that all readers will find useful and continues with specific sections covering a range of interdisciplinary applications. Here, an international team of leading experts review their respective fields and present their latest research findings, with case studies used throughout to analyze and present key information. Brings together the current knowledge on the most important aspects of big data, including analysis using deep learning and fuzzy logic, transparency and data protection, disparate data analytics, and scalability of the big data domain Covers many applications of big data analysis in diverse fields such as chemistry, chemoinformatics, bioinformatics, computer-assisted drug/vaccine design, characterization of emerging pathogens, and environmental protection Highlights the considerable benefits offered by big data analytics to science, in biomedical fields and in industry
Chemometrics and Cheminformatics in Aquatic Toxicology

Author: Kunal Roy

Publisher: John Wiley & Sons

ISBN: 9781119681595

Category: Science

Page: 596

View: 751

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.
New Horizons in Predictive Toxicology

Author: Alan G E Wilson

Publisher: Royal Society of Chemistry

ISBN: 9781849733045

Category: Medical

Page: 732

View: 886

The sophistication of modelling and simulation technologies have improved dramatically over the past decade and their applications in toxicity prediction and risk assessment are of critical importance. The integration of predictive toxicology approaches will become increasingly necessary as industrial chemicals advance and as new pharmaceuticals enter the market. In this comprehensive discussion of predictive toxicology and its applications, leading experts express their views on the technologies currently available and the potential for future developments. The book covers a wide range of topics including in silico, in vitro and in vivo approaches that are being used in the safety assessment of chemical substances. It reflects the growing and urgent need to strengthen and improve our ability to predict the safety and risks posed by industrial and pharmaceutical chemicals in humans. The reader will find extensive information on the use of current animal models used for various toxicities and target mediated toxicities. Also discussed are the recent regulatory initiatives to improve the safety assessment of chemicals. The book provides an expert and comprehensive discussion on the current status and future directions of predictive toxicology and its application. The various chapters in the book also reflect the growing need for improvements in our technologies and abilities to predict toxicities of pharmaceutical and industrial chemicals to ensure product safety and protect public health.
Information Resources in Toxicology

Author: Steve Gilbert

Publisher: Academic Press

ISBN: 9780128216125

Category: Medical

Page: 808

View: 634

This new fifth edition of Information Resources in Toxicology offers a consolidated entry portal for the study, research, and practice of toxicology. Both volumes represents a unique, wide-ranging, curated, international, annotated bibliography, and directory of major resources in toxicology and allied fields such as environmental and occupational health, chemical safety, and risk assessment. The editors and authors are among the leaders of the profession sharing their cumulative wisdom in toxicology’s subdisciplines. This edition keeps pace with the digital world in directing and linking readers to relevant websites and other online tools. Due to the increasing size of the hardcopy publication, the current edition has been divided into two volumes to make it easier to handle and consult. Volume 1: Background, Resources, and Tools, arranged in 5 parts, begins with chapters on the science of toxicology, its history, and informatics framework in Part 1. Part 2 continues with chapters organized by more specific subject such as cancer, clinical toxicology, genetic toxicology, etc. The categorization of chapters by resource format, for example, journals and newsletters, technical reports, organizations constitutes Part 3. Part 4 further considers toxicology’s presence via the Internet, databases, and software tools. Among the miscellaneous topics in the concluding Part 5 are laws and regulations, professional education, grants and funding, and patents. Volume 2: The Global Arena offers contributed chapters focusing on the toxicology contributions of over 40 countries, followed by a glossary of toxicological terms and an appendix of popular quotations related to the field. The book, offered in both print and electronic formats, is carefully structured, indexed, and cross-referenced to enable users to easily find answers to their questions or serendipitously locate useful knowledge they were not originally aware they needed. Among the many timely topics receiving increased emphasis are disaster preparedness, nanotechnology, -omics, risk assessment, societal implications such as ethics and the precautionary principle, climate change, and children’s environmental health. Opens with an overview of the international toxicology scene, organizations and activities involved with both the science and regulatory framework, and a specific look at the European Union’s efforts. Offers an extensive collection of chapters covering over 40 countries and their toxicological infrastructure which includes listings of major books and journals, organizations, professional societies, universities, poison control centers, legislation, and online databases. Provides the Second Edition of the International Union of Pure and Applied Chemistry’s Glossary of Terms Used in Toxicology, a carefully constructed and peer reviewed collation of critical terms in the science. Concludes with a potpourri of quotes concerning toxicology and their use in the arts and popular culture. Paired with Volume One, which offers chapters on a host of toxicology sub-disciplines, this set offers the most comprehensive compendium of print, digital, and organizational resources in the toxicological sciences with over120 chapters contributions by experts and leaders in the field.
Challenges in Endocrine Disruptor Toxicology and Risk Assessment

Author: Alexandra Fucic

Publisher: Royal Society of Chemistry

ISBN: 9781788017411

Category: Science

Page: 539

View: 508

Insight into the role of hormones, particularly estrogen and testosterone, in health and disease etiology - including interactions with other hormone pathways - has dramatically changed. Estrogen and androgen receptors, with their polymorphisms, are key molecules in all tissues and are involved in a number of homeostatic mechanisms but also pathological processes including carcinogenesis and the development of metabolic and neurological disorders such as diabetes and Alzheimer's disease. Endocrine disrupting chemicals (EDCs) can interfere with the endocrine (hormone) systems at certain dosages and play a key role in the pathology of disease. Most known EDCs are manmade and are therefore an increasing concern given the number commonly found in household products and the environment. This book will cover the mechanisms of EDC pathology across the spectrum of disease, as well as risk assessment and government and legal regulation to provide a holistic view of the current issues and cutting-edge research in the topic. With contributions from global leaders in the field, this book will be an ideal reference for toxicologists, endocrinologists and researchers interested in developmental biology, regulatory toxicology and the interface between environment and human health.
Molecular Docking for Computer-Aided Drug Design

Author: S. Mohane Coumar

Publisher: Academic Press

ISBN: 9780128223130

Category: Medical

Page: 520

View: 705

Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications offers in-depth coverage on the use of molecular docking for drug design. The book is divided into three main sections that cover basic techniques, tools, web servers and applications. It is an essential reference for students and researchers involved in drug design and discovery. Covers the latest information and state-of-the-art trends in structure-based drug design methodologies Includes case studies that complement learning Consolidates fundamental concepts and current practice of molecular docking into one convenient resource
Comprehensive Medicinal Chemistry III

Author:

Publisher: Elsevier

ISBN: 9780128032015

Category: Science

Page: 4536

View: 407

Comprehensive Medicinal Chemistry III provides a contemporary and forward-looking critical analysis and summary of recent developments, emerging trends, and recently identified new areas where medicinal chemistry is having an impact. The discipline of medicinal chemistry continues to evolve as it adapts to new opportunities and strives to solve new challenges. These include drug targeting, biomolecular therapeutics, development of chemical biology tools, data collection and analysis, in silico models as predictors for biological properties, identification and validation of new targets, approaches to quantify target engagement, new methods for synthesis of drug candidates such as green chemistry, development of novel scaffolds for drug discovery, and the role of regulatory agencies in drug discovery. Reviews the strategies, technologies, principles, and applications of modern medicinal chemistry Provides a global and current perspective of today's drug discovery process and discusses the major therapeutic classes and targets Includes a unique collection of case studies and personal assays reviewing the discovery and development of key drugs
Marsupial and Placental Mammal Species in Environmental Risk Assessment Strategies

Author: Professor Marcelo L Larramendy

Publisher: Royal Society of Chemistry

ISBN: 9781839161988

Category: Science

Page: 238

View: 574

With the expansion of human settlements and the environmental changes brought on by human activity and pollutants, toxicology and risk assessment of mammal species is becoming increasingly of interest to toxicologists involved in environmental research. This book focuses specifically on environmental risk assessment in marsupial and placental mammals. Marsupial ecotoxicology is poorly understood in scientific research and as such environmental risk assessment in marsupials is an area of rapidly growing interest. This book will be an ideal companion to toxicologists and ecologists interested in risk assessment in the environments of mammals. Particularly those with an interest in the impact introduced by human activity. The book will also be of interest to those working in conservation biology, biological invasion, biocontrol and habitat management.

Herbicides

Herbicides

Author:

Publisher: Elsevier

ISBN: 9780128236758

Category: Science

Page: 366

View: 250

Herbicides: Chemistry, Efficacy, Toxicology, and Environmental Impacts addresses contemporary debates on herbicide toxicology. The reader is offered a comprehensive overview of this complex topic, presented by internationally recognized experts. Information presented will inform discussions on the use of herbicides in modern agricultural and other systems, and their potential non-target effects on human populations and various ecosystems. The book covers these matters in concise language appropriate to engage both specialists in the research community and informed persons responsible for legislative, funding, and public health matters in the community at large. The use of herbicides is an essential pillar of modern agricultural production systems. Weeds, if uncontrolled, would reduce crop yield and result in massive economic damage. Recently, the heavy reliance on single herbicides has been linked to the development of weed resistance. To combat resistant weeds, farmers are advised to use a mix of several herbicides and to increase herbicide application rates. As a result, the toxicity of herbicides on human health and the environment has become a controversial topic. Offers a comprehensive overview of herbicide science in modern agricultural systems Addresses the complex problems that can arise from herbicide use and misuse, including weed resistance, pollution, and human health issues Uses recent examples to demonstrate the topical nature of this issue
A Systems Biology Approach to Advancing Adverse Outcome Pathways for Risk Assessment

Author: Natàlia Garcia-Reyero

Publisher: Springer

ISBN: 9783319660844

Category: Science

Page: 422

View: 860

Social pressure to minimize the use of animal testing, the ever-increasing concern on animal welfare, and the need for more human-relevant and more predictive toxicity tests are some of the drivers for new approaches to chemical screening. This book focuses on The Adverse Outcome Pathway, an analytical construct that describes a sequential chain of causally linked events at different levels of biological organization that lead to an adverse health or ecotoxicological effect. While past efforts have focused on toxicological pathway-based vision for human and ecological health assessment relying on in vitro systems and predictive models, The Adverse Outcome Pathway framework provides a simplified and structured way to organize toxicological information. Within the book, a systems biology approach supplies the tools to infer, link, and quantify the molecular initiating events and the key events and key event relationships leading to adverse outcomes. The advancement of these tools is crucial for the successful implementation of AOPs for regulatory purposes.