Tox21 Challenge To Build Predictive Models Of Nuclear Receptor And Stress Response Pathways As Mediated By Exposure To Environmental Toxicants And Drugs
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Tox21 Challenge To Build Predictive Models Of Nuclear Receptor And Stress Response Pathways As Mediated By Exposure To Environmental Toxicants And Drugs
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Author : Ruili Huang
language : en
Publisher: Frontiers Media SA
Release Date : 2017-07-05
Tox21 Challenge To Build Predictive Models Of Nuclear Receptor And Stress Response Pathways As Mediated By Exposure To Environmental Toxicants And Drugs written by Ruili Huang and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-07-05 with categories.
Tens of thousands of chemicals are released into the environment every day. High-throughput screening (HTS) has offered a more efficient and cost-effective alternative to traditional toxicity tests that can profile these chemicals for potential adverse effects with the aim to prioritize a manageable number for more in depth testing and to provide clues to mechanism of toxicity. The Tox21 program, a collaboration between the National Institute of Environmental Health Sciences (NIEHS)/National Toxicology Program (NTP), the U.S. Environmental Protection Agency’s (EPA) National Center for Computational Toxicology (NCCT), the National Institutes of Health (NIH) National Center for Advancing Translational Sciences (NCATS), and the U.S. Food and Drug Administration (FDA), has generated quantitative high-throughput screening (qHTS) data on a library of 10K compounds, including environmental chemicals and drugs, against a panel of nuclear receptor and stress response pathway assays during its production phase (phase II). The Tox21 Challenge, a worldwide modeling competition, was launched that asks a “crowd” of researchers to use these data to elucidate the extent to which the interference of biochemical and cellular pathways by compounds can be inferred from chemical structure data. In the Challenge participants were asked to model twelve assays related to nuclear receptor and stress response pathways using the data generated against the Tox21 10K compound library as the training set. The computational models built within this Challenge are expected to improve the community’s ability to prioritize novel chemicals with respect to potential concern to human health. This research topic presents the resulting computational models with good predictive performance from this Challenge.
Big Data In Predictive Toxicology
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Author : Daniel Neagu
language : en
Publisher: Royal Society of Chemistry
Release Date : 2019-12-04
Big Data In Predictive Toxicology written by Daniel Neagu 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 2019-12-04 with Medical categories.
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.
Advances In Computational Toxicology
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Author : Huixiao Hong
language : en
Publisher: Springer
Release Date : 2019-05-21
Advances In Computational Toxicology written by Huixiao Hong and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-05-21 with Science categories.
This book provides a comprehensive review of both traditional and cutting-edge methodologies that are currently used in computational toxicology and specifically features its application in regulatory decision making. The authors from various government agencies such as FDA, NCATS and NIEHS industry, and academic institutes share their real-world experience and discuss most current practices in computational toxicology and potential applications in regulatory science. Among the topics covered are molecular modeling and molecular dynamics simulations, machine learning methods for toxicity analysis, network-based approaches for the assessment of drug toxicity and toxicogenomic analyses. Offering a valuable reference guide to computational toxicology and potential applications in regulatory science, this book will appeal to chemists, toxicologists, drug discovery and development researchers as well as to regulatory scientists, government reviewers and graduate students interested in this field.
Predictive Analytics For Toxicology
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Author : Luis G. Valerio, Jr.
language : en
Publisher: CRC Press
Release Date : 2024-08-13
Predictive Analytics For Toxicology written by Luis G. Valerio, Jr. and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-08-13 with Science categories.
Predictive data science is already in use in many fields, but its application in toxicology is new and sought after by non-animal alternative testing initiatives. Predictive Analytics for Toxicology: Applications in Discovery Science provides a comprehensive overview of the application of predictive analytics in the field of toxicology, highlighting its role and applications in discovery science. This book addresses the challenges of accurately predicting high-level endpoints of toxicity and explores the use of computational and artificial intelligence research to automate predictive toxicology. It underscores the importance of predictive toxicology in proposing and explaining adverse outcomes resulting from human exposures to specific toxicants, especially when experimental and observational data on the toxicant are incomplete or unavailable. Key features: Includes a plain language description of predictive analytics in toxicology adding an overview of the wide range of applications Examines the science of prediction, computational models as an automated science and comprehensive discussions on concepts of machine learning Opens the hood on AI and its applications in toxicology Features coverage on how in silico toxicity predictions are translational science tools The book integrates strategies and practices of predictive toxicology and offers practical information that students and professionals of the toxicology, chemical, and pharmaceutical industries will find essential. It fulfills the expectations of student researchers seeking to learn predictive analytics in toxicology. This book will energize scientists to conduct predictive toxicology modeling using artificial intelligence and machine learning, and inspire students and seasoned scientists interested in automated science to pick up new research using predictive in silico models to evaluate chemical-induced toxicity. With its focus on practical applications and real-world examples, this book serves as a guide for navigating the complex issues and practices of discovery toxicology. It is an essential resource for those interested in computer-based methods in toxicology, providing valuable insights into the use of predictive analytics.
The History Of Alternative Test Methods In Toxicology
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Author :
language : en
Publisher: Academic Press
Release Date : 2018-10-20
The History Of Alternative Test Methods In Toxicology written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-10-20 with Medical categories.
The History of Alternative Test Methods in Toxicology uses a chronological approach to demonstrate how the use of alternative methods has evolved from their conception as adjuncts to traditional animal toxicity tests to replacements for them. This volume in the History of Toxicology and Environmental Health series explores the history of alternative test development, validation, and use, with an emphasis on humanity and good science, in line with the Three Rs (Replacement,Reduction, Refinement) concept expounded by William Russell and Rex Burch in 1959 in their now classic volume, The Principles of Humane Experimental Technique. The book describes the historical development of technologies that have influenced the application of alternatives in toxicology and safety testing. These range from single cell monocultures to sophisticated, miniaturised and microfluidic organism-on-a-chip devices, and also include molecular modelling, chemoinformatics and QSAR analysis, and the use of stem cells, tissue engineering and hollow fibre bioreactors. This has been facilitated by the wider availability of human tissues, advances in tissue culture, analytical and diagnostic methods, increases in computational processing, capabilities, and a greater understanding of cell biology and molecular mechanisms of toxicity. These technological developments have enhanced the range and information content of the toxicity endpoints detected, and therefore the relevance of test systems and data interpretation, while new techniques for non-invasive diagnostic imaging and high resolution detection methods have permitted an increased role for human studies. Several key examples of how these technologies are being harnessed to meet 21st century safety assessment challenges are provided, including their deployment in integrated testing schemes in conjunction with kinetic modelling, and in specialized areas, such as inhalation toxicity studies. The History of Alternative Test Methods in Toxicology uses a chronological approach to demonstrate how the use of alternative methods has evolved from their conception as adjuncts to traditional animal toxicity tests to replacements for them. This volume in the History of Toxicology and Environmental Health series explores the history of alternative test development, validation, and use, with an emphasis on humanity and good science, in line with the Three Rs (Replacement, Reduction, Refinement) concept expounded by William Russell and Rex Burch in 1959 in their now-classic volume, The Principles of Humane Experimental Technique. The book describes the historical development of technologies that have influenced the application of alternatives in toxicology and safety testing. These range from single cell monocultures to sophisticated miniaturised and microfluidic organism-on-a-chip devices, and also include molecular modelling, chemoinformatics and QSAR analysis, and the use of stem cells, tissue engineering and hollow fibre bioreactors. This has been facilitated by the wider availability of human tissues, advances in tissue culture, analytical and diagnostic methods, increases in computational processing capabilities, and a greater understanding of cell biology and molecular mechanisms of toxicity. These technological developments have enhanced the range and information content of the toxicity endpoints detected, and therefore the relevance of test systems and data interpretation, while new techniques for non-invasive diagnostic imaging and high resolution detection methods have permitted an increased role for human studies. Several key examples of how these technologies are being harnessed to meet 21st century safety assessment challenges are provided, including their deployment in integrated testing schemes in conjunction with kinetic modelling, and in specialised areas, such as inhalation toxicity studies.
Biomarkers In Toxicology
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Author : Vinood B. Patel
language : en
Publisher: Springer Nature
Release Date : 2023-01-31
Biomarkers In Toxicology written by Vinood B. Patel and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-01-31 with Medical categories.
This handbook of the series Biomarkers in Disease informs comprehensively about all aspects of monitoring and detecting toxicity in the human body and model organisms. Biomarkers for assessing toxicity in diverse organs are presented and different assays and methods are explained. Single compounds and drugs and their toxicity for humans are shown and the methods for detection described. Similar to all the volumes of the Biomarkers in Disease series, the chapters are written by experts in their field, each chapter features key facts summarizing the most important aspects of its respective topic and the definitions of words and terms facilitate the reading and understanding. This handbook is a must-have for researchers in toxicology and biomedicine who analyze the effects of drugs and various other substances in the human body and in model organisms. It also serves as a thorough guide for clinicians and pharmacologists.
Safety In The Digital Age
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Author : Jean-Christophe Le Coze
language : en
Publisher: Springer Nature
Release Date : 2023-08-07
Safety In The Digital Age written by Jean-Christophe Le Coze and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-08-07 with Business & Economics categories.
This open access book gathers authors from a wide range of social-scientific and engineering disciplines to review challenges from their respective fields that arise from the processes of social and technological transformation taking place worldwide. The result is a much-needed collection of knowledge about the integration of social, organizational and technical challenges that need to be tackled to uphold safety in the digital age. The contributors whose work features in this book help their readers to navigate the massive increase in the capability to generate and use data in developing algorithms intended for automation of work, machine learning and next-generation artificial intelligence and the blockchain technology already in such extensive use in real-world organizations. This book deals with such issues as: · How can high-risk and safety-critical systems be affected by these developments, in terms of their activities, theirorganization, management and regulation? · What are the sociotechnical challenges of the proliferation of big data, algorithmic influence and cyber-security challenges in health care, transport, energy production/distribution and production of goods? Understanding the ways these systems operate in the rapidly changing digital context has become a core issue for academic researchers and other experts in safety science, security and critical-infrastructure protection. The research presented here offers a lens through which the reader can grasp the way such systems evolve and the implications for safety—an increasingly multidisciplinary challenge that this book does not shrink from addressing.
Deep Learning For Toxicity And Disease Prediction
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Author : Ping Gong
language : en
Publisher: Frontiers Media SA
Release Date : 2020-04-01
Deep Learning For Toxicity And Disease Prediction written by Ping Gong and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-04-01 with categories.
Computational Toxicology For Drug Safety And A Sustainable Environment
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Author : Tahmeena Khan, Saman Raza
language : en
Publisher: Bentham Science Publishers
Release Date : 2023-12-18
Computational Toxicology For Drug Safety And A Sustainable Environment written by Tahmeena Khan, Saman Raza and has been published by Bentham Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-12-18 with Science categories.
Computational Toxicology for Drug Safety and a Sustainable Environment is a primer on computational techniques in environmental toxicology for scholars. The book presents 9 in-depth chapters authored by expert academicians and scientists aimed to give readers an understanding of how computational models, software and algorithms are being used to predict toxicological profiles of chemical compounds. The book also aims to help academics view toxicological assessment from the lens of sustainability by providing an overview of the recent developments in environmentally-friendly practices. The chapters review the strengths and weaknesses of the existing methodologies, and cover new developments in computational tools to explain how researchers aim to get accurate results. Each chapter features a simple introduction and list of references to benefit a broad range of academic readers. List of topics: 1. Applications of computational toxicology in pharmaceuticals, environmental and industrial practices 2. Verification, validation and sensitivity studies of computational models used in toxicology assessment 3. Computational toxicological approaches for drug profiling and development of online clinical repositories 4. How to neutralize chemicals that kill environment and humans: an application of computational toxicology 5. Adverse environmental impact of pharmaceutical waste and its computational assessment 6. Computational aspects of organochlorine compounds: DFT study and molecular docking calculations 7. In-silico studies of anisole and glyoxylic acid derivatives 8. Computational toxicology studies of chemical compounds released from firecrackers 9. Computational nanotoxicology and its applications Readership Graduate and postgraduate students, academics and researchers in pharmacology, computational biology, toxicology and environmental science programs.
Recent Trends In Marine Toxicological Assessment
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Author : Ong Meng Chuan
language : en
Publisher: Springer Nature
Release Date : 2025-03-01
Recent Trends In Marine Toxicological Assessment written by Ong Meng Chuan and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-03-01 with Science categories.
Marine pollution is an escalating global concern, with growing awareness of its severe impact on the world’s oceans. Rapid industrialization and intensified human activities have significantly elevated pollution levels, posing a serious threat to marine ecosystems and biodiversity. This book addresses these critical environmental issues by focusing on advanced methodologies for detecting and assessing marine pollutants. It provides a comprehensive overview of the current state of marine toxicology, emphasizing the importance of innovative approaches to protect ocean health and ensure sustainable marine environments. Combining expert contributions worldwide, this book explores the latest developments in marine toxicological assessment. It begins with discussing the sampling methodologies used for analysing legacy and emerging pollutants in aquatic environments, highlighting the distribution and concentration of these pollutants and their impacts on marine life. The book also introduces the adverse outcome pathway (AOP) framework for microscale toxicity testing, which evaluates the effects of pollutants at various biological levels. In addition, it examines in silico techniques and the Toxicology in the 21st Century (Tox21) concept, which employs a comprehensive approach beyond traditional quantitative structure-activity relationship (QSAR) methods. These advanced techniques are essential for predicting ecotoxicological impacts and ensuring chemical safety in marine ecosystems. "Recent Trends in Marine Toxicological Assessment" is designed for a diverse audience, including students, research scholars, and policymakers in environmental science, marine chemistry, marine biology, and biotechnology. It is an invaluable resource for those seeking to enhance their understanding of marine pollution, toxicological assessment, and the latest methods for monitoring and mitigating the impact of pollutants. This book will assist policymakers and environmental managers develop effective strategies to combat marine pollution and protect ocean health. By integrating advanced scientific techniques with practical applications, this book aims to support ongoing efforts to preserve marine ecosystems and promote sustainable practices.