Machine Learning And Deep Learning In Computational Toxicology
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Machine Learning And Deep Learning In Computational Toxicology
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Author : Huixiao Hong
language : en
Publisher: Springer Nature
Release Date : 2023-03-11
Machine Learning And Deep Learning In Computational Toxicology written by Huixiao Hong and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-03-11 with Medical categories.
This book is a collection of machine learning and deep learning algorithms, methods, architectures, and software tools that have been developed and widely applied in predictive toxicology. It compiles a set of recent applications using state-of-the-art machine learning and deep learning techniques in analysis of a variety of toxicological endpoint data. The contents illustrate those machine learning and deep learning algorithms, methods, and software tools and summarise the applications of machine learning and deep learning in predictive toxicology with informative text, figures, and tables that are contributed by the first tier of experts. One of the major features is the case studies of applications of machine learning and deep learning in toxicological research that serve as examples for readers to learn how to apply machine learning and deep learning techniques in predictive toxicology. This book is expected to provide a reference for practical applications of machine learning and deep learning in toxicological research. It is a useful guide for toxicologists, chemists, drug discovery and development researchers, regulatory scientists, government reviewers, and graduate students. The main benefit for the readers is understanding the widely used machine learning and deep learning techniques and gaining practical procedures for applying machine learning and deep learning in predictive toxicology.
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.
Computational Toxicology
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Author : Orazio Nicolotti
language : en
Publisher: Springer Nature
Release Date : 2024-09-23
Computational Toxicology written by Orazio Nicolotti and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-09-23 with Medical categories.
This second eidtion explores new and updated techniques used to understand solid target-specific models in computational toxicology. Chapters are divided into four sections, detailing molecular descriptors, QSAR and read-across, molecular and data modeling techniques, computational toxicology in drug discovery, molecular fingerprints, AI techniques, and safe drug design. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and key tips on troubleshooting and avoiding known pitfalls. Authoritative and cutting-edge, Computational Toxicology: Methods and Protocols, Second Editon aims to ensure successful results in the further study of this vital field.
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.
Computational Toxicology
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Author : Sean Ekins
language : en
Publisher: John Wiley & Sons
Release Date : 2018-01-15
Computational Toxicology written by Sean Ekins 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 2018-01-15 with Science categories.
Dieses Buch ist ein wichtiges Referenzwerk für Toxikologen in vielen Bereichen und bietet eine umfassende Analyse molekular Modellansätze und Strategien der Risikobewertung von pharmazeutischen und Umweltchemikalien. - Zeigt, was mit rechnergestützter Toxikologie aktuell erreicht werden kann, und wirft einen Blick auf zukünftige Entwicklungen. - Gibt Antworten zu Themen wie Datenquellen, Datenpflege, Behandlung, Modellierung und Interpretation kritischer Endpunkte im Hinblick auf Gefahrenbewertungen im 21. Jahrhundert. - Bündelt herausragende Konzepte und das Wissen führender Autoren in einem einzigartigen Referenzwerk. - Untersucht detailliert QSAR-Modelle, Eigenschaften physiochemischer Arzneistoffe, strukturbasiertes Drug Targeting, die Bewertung chemischer Mischungen und Umweltmodelle. - Behandelt zusätzlich die Sicherheitsbewertung von Verbraucherprodukten und den Bereich chemische Abwehr und bietet Kapitel zu Open-Source-Toxikologie und Big Data.
Revolutionizing Drug Discovery Cutting Edge Computational Techniques
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Author :
language : en
Publisher: Academic Press
Release Date : 2025-04-03
Revolutionizing Drug Discovery Cutting Edge Computational Techniques 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 2025-04-03 with Medical categories.
Revolutionizing Drug Discovery: Cutting-Edge Computational Techniques, Volume 103 is an essential guide for professionals, researchers, and students in the pharmaceutical and biotech industries, providing an in-depth look at how computational methods transform drug development. Chapters in this new release include Innovative Computational Approaches in Drug Discovery and Design, Advanced Molecular Modeling of Proteins: Methods, Breakthroughs, and Future Prospects, Predictive Cavity and Binding Site Identification: Techniques and Applications, ADMET Tools in the Digital Era: Applications and Limitations, Essential Database Resources for Modern Drug Discovery, Deep Learning for Drug Design and Development, and much more.Other sections cover Molecular Docking and Structure-Based Drug Design: From Theory to Practice, Molecular Dynamics Simulations: Insights into Protein and Protein-Ligand Interactions, Targeting Disease: Computational Approaches for Drug Target Identification, High-throughput computational Screening for Lead Discovery and Development, Harnessing Machine Learning for Rational Drug Design, Identifying Novel Drug Targets with Computational Precision, Computational Exploration of Viral Cell Membrane Structures for Identifying Novel Therapeutic Target, and many more interesting topics. - Offers expert insights from leading authorities on computational techniques in drug discovery, ensuring readers gain accurate, cutting-edge knowledge - Includes illustrative graphics and case studies to enhance comprehension and engagement for readers across disciplines - Provides forward-looking perspectives on the role of computational methods in drug development, highlighting both current advancements and future trends
Toxicological Assessment Of Combined Chemicals In The Environment
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Author : De-Sheng Pei
language : en
Publisher: John Wiley & Sons
Release Date : 2025-02-05
Toxicological Assessment Of Combined Chemicals In The Environment written by De-Sheng Pei 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 2025-02-05 with Science categories.
Comprehensive resource covering toxicology fundamentals, distribution of pollutants in the environment, and research methodologies for toxicological assessment of chemical mixtures Toxicological Assessment of Combined Chemicals in the Environment offers an in-depth exploration of various approaches and molecular mechanisms regarding how minor alterations in chemical mixtures can influence an organism’s toxicity, along with discussion of the challenges associated with assessing mixtures. The first section of the book provides a concise introduction to the background and significance of combined toxicity. Section two delves into the primary sources and enrichment mechanisms of different chemical mixtures, elucidating the biological exposure pathways of these compounds. Section three introduces both classical and emerging toxicological research models in detail. Building on the descriptions of compound emission, migration, accumulation, and transformation processes, and the analysis of combined molecular toxicity in the preceding sections, section four introduces computer mathematical modeling methods for hazard assessment of compound mixtures. The final section details the challenges and future trends in this field. Written by a highly qualified author and seasoned research contributor in the field, Toxicological Assessment of Combined Chemicals in the Environment covers sample topics including: The degradation, oxidation, absorption, distribution, biotransformation, and excretion of various compounds in both the environment and in organisms A variety of cell models and in vivo research models of model organisms, supplemented with case studies Combined molecular toxicity mechanisms of heavy metals, pesticides, persistent organic pollutants (POPs), and pharmaceutical and personal care products (PPCPs) Principal sources, fate, and mechanism of chemical mixtures in the environment, as well as experimental designs and sampling strategies for combined toxicity studies based on concentrations Toxicological Assessment of Combined Chemicals in the Environment serves as a valuable reference for researchers, students, and policymakers involved in environmental management and protection. It is particularly relevant for toxicologists, risk assessors, and those engaged in the molecular modeling of toxic mixtures.
Artificial Intelligence For Materials Informatics
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Author : S. Sachin Kumar
language : en
Publisher: Springer Nature
Release Date : 2025-07-29
Artificial Intelligence For Materials Informatics written by S. Sachin Kumar and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-07-29 with Computers categories.
This comprehensive book explores the transformative impact of AI on materials informatics, delving into machine learning/deep learning, and material knowledge representation. Embracing the transformative power of artificial intelligence (AI), the field of materials informatics has witnessed a remarkable revolution in its methodology and applications. AI has revolutionized the field of materials informatics, enabling researchers to discover, design, and optimize materials with enhanced properties at an accelerated pace. It showcases how AI is accelerating materials discovery, property prediction, providing case studies, and a comprehensive bibliography for further exploration. This essential resource equips researchers, scientists, and engineers with the knowledge and tools to harness the power of AI for groundbreaking advancements in materials science.
Deep Learning For Targeted Treatments
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Author : Rishabha Malviya
language : en
Publisher: John Wiley & Sons
Release Date : 2022-09-20
Deep Learning For Targeted Treatments written by Rishabha Malviya 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 2022-09-20 with Computers categories.
DEEP LEARNING FOR TREATMENTS The book provides the direction for future research in deep learning in terms of its role in targeted treatment, biological systems, site-specific drug delivery, risk assessment in therapy, etc. Deep Learning for Targeted Treatments describes the importance of the deep learning framework for patient care, disease imaging/detection, and health management. Since deep learning can and does play a major role in a patient’s healthcare management by controlling drug delivery to targeted tissues or organs, the main focus of the book is to leverage the various prospects of the DL framework for targeted therapy of various diseases. In terms of its industrial significance, this general-purpose automatic learning procedure is being widely implemented in pharmaceutical healthcare. Audience The book will be immensely interesting and useful to researchers and those working in the areas of clinical research, disease management, pharmaceuticals, R&D formulation, deep learning analytics, remote healthcare management, healthcare analytics, and deep learning in the healthcare industry.
Ai Powered Advances In Pharmacology
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Author : Shaik, Aminabee
language : en
Publisher: IGI Global
Release Date : 2024-09-14
Ai Powered Advances In Pharmacology written by Shaik, Aminabee and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-09-14 with Medical categories.
In the field of pharmaceutical sciences, the integration of artificial intelligence (AI) has emerged as a groundbreaking force, propelling the field into uncharted territories of discovery and innovation. As traditional approaches in drug discovery and development encounter new challenges, the need for cutting-edge technologies becomes increasingly apparent. AI-Powered Advances in Pharmacology offers an insightful exploration of this critical intersection between AI and pharmacological research. This book delves into how AI technologies are reshaping the understanding of diseases, predicting drug responses, and optimizing therapeutic interventions. It navigates through the relationship between AI algorithms, big data analytics, and traditional pharmacological methodologies, promising to accelerate drug development and usher in a new era of precision medicine. The primary objective of AI-Powered Advances in Pharmacology is to conduct a thorough exploration of the integration of artificial intelligence (AI) into pharmacological research, shedding light on its transformative impact on drug discovery, development, and personalized medicine. This comprehensive overview aims to serve as a valuable resource for researchers, practitioners, and students in the field, bridging the gap between traditional pharmacological approaches and AI methodologies. Through case studies and discussions of emerging trends, the book contributes to the evolving landscape of pharmacology, fostering a deeper understanding of diseases, optimizing therapeutic interventions, and shaping the future of precision medicine. By providing practical insights, it aims to inspire further advancements at the intersection of artificial intelligence and pharmacology.