A Primer On Qsar Qspr Modeling

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A Primer on QSAR/QSPR Modeling

Author : Kunal Roy
Publisher :
ISBN 13 : 9783319172828
Total Pages : pages
Book Rating : 4.1/5 (728 download)

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Book Synopsis A Primer on QSAR/QSPR Modeling by : Kunal Roy

Download or read book A Primer on QSAR/QSPR Modeling written by Kunal Roy and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: This brief goes back to basics and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that represent predictive models derived from the application of statistical tools correlating biological activity (including therapeutic and toxic) and properties of chemicals (drugs/toxicants/environmental pollutants) with descriptors representative of molecular structure and/or properties. It explains how the sub-discipline of Cheminformatics is used for many applications such as risk assessment, toxicity prediction, property prediction and regulatory decisions apart from drug discovery and lead optimization. The authors also present, in basic terms, how QSARs and related chemometric tools are extensively involved in medicinal chemistry, environmental chemistry and agricultural chemistry for ranking of potential compounds and prioritizing experiments. At present, there is no standard or introductory publication available that introduces this important topic to students of chemistry and pharmacy. With this in mind, the authors have carefully compiled this brief in order to provide a thorough and painless introduction to the fundamental concepts of QSAR/QSPR modelling. The brief is aimed at novice readers.

A Primer on QSAR/QSPR Modeling

Author : Kunal Roy
Publisher : Springer
ISBN 13 : 3319172816
Total Pages : 121 pages
Book Rating : 4.3/5 (191 download)

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Book Synopsis A Primer on QSAR/QSPR Modeling by : Kunal Roy

Download or read book A Primer on QSAR/QSPR Modeling written by Kunal Roy and published by Springer. This book was released on 2015-04-11 with total page 121 pages. Available in PDF, EPUB and Kindle. Book excerpt: This brief goes back to basics and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that represent predictive models derived from the application of statistical tools correlating biological activity (including therapeutic and toxic) and properties of chemicals (drugs/toxicants/environmental pollutants) with descriptors representative of molecular structure and/or properties. It explains how the sub-discipline of Cheminformatics is used for many applications such as risk assessment, toxicity prediction, property prediction and regulatory decisions apart from drug discovery and lead optimization. The authors also present, in basic terms, how QSARs and related chemometric tools are extensively involved in medicinal chemistry, environmental chemistry and agricultural chemistry for ranking of potential compounds and prioritizing experiments. At present, there is no standard or introductory publication available that introduces this important topic to students of chemistry and pharmacy. With this in mind, the authors have carefully compiled this brief in order to provide a thorough and painless introduction to the fundamental concepts of QSAR/QSPR modelling. The brief is aimed at novice readers.

QSPR/QSAR Analysis Using SMILES and Quasi-SMILES

Author : Alla P. Toropova
Publisher : Springer Nature
ISBN 13 : 3031284011
Total Pages : 470 pages
Book Rating : 4.0/5 (312 download)

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Book Synopsis QSPR/QSAR Analysis Using SMILES and Quasi-SMILES by : Alla P. Toropova

Download or read book QSPR/QSAR Analysis Using SMILES and Quasi-SMILES written by Alla P. Toropova and published by Springer Nature. This book was released on 2023-06-10 with total page 470 pages. Available in PDF, EPUB and Kindle. Book excerpt: This contributed volume overviews recently presented approaches for carrying out QSPR/QSAR analysis by using a simplifying molecular input-line entry system (SMILES) to represent the molecular structure. In contrast to traditional SMILES, quasi-SMILES is a sequence of special symbols-codes that reflect molecular features and codes of experimental conditions. SMILES and quasi-SMILES serve as a basis to develop QSPR/QSAR as well Nano-QSPR/QSAR via the Monte Carlo calculation that provides the so-called optimal descriptors for QSPR/QSAR models. The book presents a reliable technology for developing Nano-QSPR/QSAR while it also includes the description of the algorithms of the Monte Carlo optimization. It discusses the theory and practice of the technique of variational authodecoders (VAEs) based on SMILES and analyses in detail the index of ideality of correlation (IIC) and the correlation intensity index (CII) which are new criteria for the predictive potential of the model. The mathematical apparatus used is simple so that students of relevant specializations can easily follow. This volume is a valuable contribution to the field and will be of great interest to developers of models of physicochemical properties and biological activity, chemical technologists, and toxicologists involved in the area of drug design.

Advances in QSAR Modeling

Author : Kunal Roy
Publisher : Springer
ISBN 13 : 3319568507
Total Pages : 555 pages
Book Rating : 4.3/5 (195 download)

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Book Synopsis Advances in QSAR Modeling by : Kunal Roy

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.

Computer Aided Pharmaceutics and Drug Delivery

Author : Vikas Anand Saharan
Publisher : Springer Nature
ISBN 13 : 9811651809
Total Pages : 767 pages
Book Rating : 4.8/5 (116 download)

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Book Synopsis Computer Aided Pharmaceutics and Drug Delivery by : Vikas Anand Saharan

Download or read book Computer Aided Pharmaceutics and Drug Delivery written by Vikas Anand Saharan and published by Springer Nature. This book was released on 2022-05-30 with total page 767 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book examines the role of computer-assisted techniques for discovering, designing, optimizing and manufacturing new, effective, and safe pharmaceutical formulations and drug delivery systems. The book discusses computational approaches, statistical modeling and molecular modeling for the development and safe delivery of drugs in humans. The application of concepts of QbD (Quality by Design), DoE (Design of Experiments), artificial intelligence and in silico pharmacokinetic assessment/simulation have been made a lot easier with the help of commercial software and expert systems. This title provides in-depth knowledge of such useful software with illustrations from the latest researches. The book also fills in the gap between pharmaceutics and molecular modeling at micro, meso and maro scale by covering topics such as advancements in computer-aided Drug Design (CADD), drug-polymer interactions in drug delivery systems, molecular modeling of nanoparticles and pharmaceutics/bioinformatics. This book provides abundant applications of computers in formulation designing and characterization are provided as examples, case studies and illustrations. Short reviews of software, databases and expert systems have also been added to culminate the interest of readers for novel applications in formulation development and drug delivery. Computer-aided pharmaceutics and drug delivery is an authoritative reference source for all the latest scholarly update on emerging developments in computed assisted techniques for drug designing and development. The book is ideally designed for pharmacists, medical practitioners, students and researchers.

Modeling Inhibitors of Matrix Metalloproteinases

Author : Tarun Jha
Publisher : CRC Press
ISBN 13 : 1003817653
Total Pages : 491 pages
Book Rating : 4.0/5 (38 download)

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Book Synopsis Modeling Inhibitors of Matrix Metalloproteinases by : Tarun Jha

Download or read book Modeling Inhibitors of Matrix Metalloproteinases written by Tarun Jha and published by CRC Press. This book was released on 2023-12-29 with total page 491 pages. Available in PDF, EPUB and Kindle. Book excerpt: Matrix metalloproteinases (MMPs) have been established as promising biomolecular targets for novel drug design and discovery against numerous major disease conditions including various cancers, cardiovascular, neurodegenerative, inflammatory diseases, and more. This book covers various modern molecular modeling methodologies particularly related to MMP inhibitors. Included in the text are descriptions of ligand-based drug designing and structure-based drug designing modeling strategies for designing potential and target specific or selective MMPIs. This book will benefit those who are looking for an in-depth text on the design and discovery processes of novel and selective MMPIs. Features Describes modeling strategies applied to MMPs Elaborates on the designing strategies of MMPs specifically Includes in-depth analyses of related case studies Acts as a guide for medicinal chemists, not only from pharmaceutical industries, but also from academia Covers various modern molecular modeling methodologies, particularly related to MMPIs

Computational Molecular Modelling in Structural Biology

Author :
Publisher : Academic Press
ISBN 13 : 012813917X
Total Pages : 152 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Computational Molecular Modelling in Structural Biology by :

Download or read book Computational Molecular Modelling in Structural Biology written by and published by Academic Press. This book was released on 2018-08-24 with total page 152 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Molecular modelling in Structural Biology, Volume 113, the latest release in the Advances in Protein Chemistry and Structural Biology, highlights new advances in the field, with this new volume presenting interesting chapters on charting the Bromodomain BRD4: Towards the Identification of Novel Inhibitors with Molecular Similarity and Receptor Mapping, and Computational Methods to Discover Compounds for the Treatment of Chagas Disease. Provides the authority and expertise of leading contributors from an international board of authors Presents the latest release in the Advances in Protein Chemistry and Structural Biology series Updated, with the latest information on Computational Molecular Modelling in Structural Biology

Toxicity: 77 Must-Know Predictions of Organic Compounds

Author : Mohammad Hossein Keshavarz
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3111190927
Total Pages : 200 pages
Book Rating : 4.1/5 (111 download)

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Book Synopsis Toxicity: 77 Must-Know Predictions of Organic Compounds by : Mohammad Hossein Keshavarz

Download or read book Toxicity: 77 Must-Know Predictions of Organic Compounds written by Mohammad Hossein Keshavarz and published by Walter de Gruyter GmbH & Co KG. This book was released on 2023-10-02 with total page 200 pages. Available in PDF, EPUB and Kindle. Book excerpt: Due to the advances of various methods for the prediction of toxicity of organic compounds and ionic liquids (ILs), it is necessary to review these methods for scientists and students. It is essential to compare the advantages and shortcomings of these methods. Since many organic compounds and ILs are synthesized each year, this book introduces suitable models for the assessment of their toxicities. This book reviews the best predictive methods for the prediction of toxicity of organic compounds and ILs, which were derived by in vitro or in vivo experiments. Different available quantitative structure‐toxicity relationship (QSTR) models based on various descriptors have been discussed to predict toxicity parameters such as LD50 (50% lethal dose), EC50 (the concentration of the desired IL that produces mortality of 50 percent of the bacterial population) and log(IGC50-1) (logarithm of 50% growth inhibitory concentration of T. pyriformis) of various classes of organic compounds and ILs. The reliability of these methods is compared and discussed. Each chapter contains some complimentary problems with their answers, which can improve the experience of students and researchers. The introduced subjects are suitable for advanced students in chemistry, biochemistry, medicinal chemistry, and chemical engineering.

Environmental Concerns and Sustainable Development

Author : Vertika Shukla
Publisher : Springer
ISBN 13 : 9811358893
Total Pages : 351 pages
Book Rating : 4.8/5 (113 download)

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Book Synopsis Environmental Concerns and Sustainable Development by : Vertika Shukla

Download or read book Environmental Concerns and Sustainable Development written by Vertika Shukla and published by Springer. This book was released on 2019-07-03 with total page 351 pages. Available in PDF, EPUB and Kindle. Book excerpt: The prevailing global environmental crisis is primarily because of non-standardized parameters for environmental regulation. Unplanned expansion of economic activities, consideration for environmental conservation and several associated problems are emerging due to degradation in quality of ambient environment such as clean air, safe drinking water and quality of food, particularly in developing nations. Due to poor/casual execution of EIA protocol, newly developing countries are preferred destination for establishing pollution emitting industries, which results in degradation and depletion of natural resources. Lack of environmental policy intervention is another major attraction for establishing such industries in these nations. In order to ensure sustainable development, the highest priority issues include the monitoring and eradication of environmental problems which arise due to economic development. Initiation of any form of economic development primarily results in loss of forests and thus biodiversity, followed by deterioration in quality of air and contamination of natural resources. The worst impact of non-standardized economic development is the contamination of air, water and soil. Sustainable development ensures responsible interface with the environment to minimize the depletion or degradation of natural resources and ensure long term environmental quality. It involves integrated approaches in understanding the importance of environmental management systems and policy inventions leading to improved environmental performance. The present book is proposed to address the environmental concerns associated with economic development and approaches involved to attain sustainable economic development, which include monitoring of the quality of air, deforestation, quality of water resources, soil erosion and degradation of the natural environment.

Bioinformatics Tools for Pharmaceutical Drug Product Development

Author : Vivek Chavda
Publisher : John Wiley & Sons
ISBN 13 : 1119865700
Total Pages : 452 pages
Book Rating : 4.1/5 (198 download)

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Book Synopsis Bioinformatics Tools for Pharmaceutical Drug Product Development by : Vivek Chavda

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 2023-02-09 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.

Computational Modelling and Simulations for Designing of Corrosion Inhibitors

Author : Dakeshwar Kumar Verma
Publisher : Elsevier
ISBN 13 : 0323951627
Total Pages : 566 pages
Book Rating : 4.3/5 (239 download)

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Book Synopsis Computational Modelling and Simulations for Designing of Corrosion Inhibitors by : Dakeshwar Kumar Verma

Download or read book Computational Modelling and Simulations for Designing of Corrosion Inhibitors written by Dakeshwar Kumar Verma and published by Elsevier. This book was released on 2023-04-19 with total page 566 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Modeling and Simulations for Designing of Corrosion Inhibitors: Fundamentals and Realistic Applications offers a collection of major advancements in the field of computational modeling for the design and testing of corrosion inhibition effectiveness of organic corrosion inhibitors. This guide presents the latest developments in molecular modeling of organic compounds using computational software, which has emerged as a powerful approach for theoretical determination of corrosion inhibition potentials of organic compounds. The book covers common techniques involved in theoretical studies of corrosion inhibition potentials, and mechanisms such as density functional theory, molecular dynamics, Monte Carlo simulations, artificial neural networks, and quantitative structure-activity relationship. Covers basic, fundamental principles, advantages, parameters, and applications of computational and molecular modeling for designing potential corrosion inhibitors for metals and alloys Describes advancements of computational modeling for the design of organic corrosion inhibitors and applications in electrochemical engineering and materials science Focuses on the most advanced applications in industry-oriented fields, including current challenges Includes websites of interest and information about the latest research

Ionic Liquids

Author : Scott Handy
Publisher : BoD – Books on Demand
ISBN 13 : 9535129015
Total Pages : 608 pages
Book Rating : 4.5/5 (351 download)

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Book Synopsis Ionic Liquids by : Scott Handy

Download or read book Ionic Liquids written by Scott Handy and published by BoD – Books on Demand. This book was released on 2017-02-22 with total page 608 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ionic liquids, including the newer subcategory of deep eutectic solvents, continue to attract a great deal of research attention in an even increasing number of areas, including traditional areas such as synthesis (organic and materials), electrochemistry, and physical property studies and predictions, as well as less obvious areas such as lubrication and enzymatic transformations. In this volume, recent advances in a number of these different areas are reported and reviewed, thus granting some appreciation for the future that ionic liquid research holds and affording inspiration for those who have not previously considered the application of ionic liquids in their area of interest.

Chemical Warfare Agents

Author : Brian J. Lukey
Publisher : CRC Press
ISBN 13 : 0429632967
Total Pages : 826 pages
Book Rating : 4.4/5 (296 download)

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Book Synopsis Chemical Warfare Agents by : Brian J. Lukey

Download or read book Chemical Warfare Agents written by Brian J. Lukey and published by CRC Press. This book was released on 2019-04-11 with total page 826 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first edition of this book, Chemical Warfare Agents: Toxicity at Low Levels, was published just prior to the terrorist attacks of September 11, 2001. The second edition titled, Chemical Warfare Agents: Pharmacology, Toxicology, and Therapeutics, included new epidemiological and clinical studies of exposed or potentially exposed populations; new treatment concepts and products; improved organization of the national response apparatus addressing the potential for CWA terrorism; and improved diagnostic tests that enable rapid diagnosis and treatment. Since the second edition, the chemical warfare agent community has worked hard to advance research for protection and treatment and develop/improve response approaches for individuals and definitive care. Consequently, in addition to updating previous chapters, Chemical Warfare Agents: Biomedical and Psychological Effects, Medical Countermeasures, and Emergency Response, Third Edition features several new chapters that address the Syrian War, chemical destruction, the Organisation for the Prohibition of Chemical Weapons, biomarkers for chemical warfare agent exposure, field sensors, aircraft decontamination, lung/human on a chip, chemical warfare response decision making, and other research advancements. Features: Describes the newest medical interventions, and the latest technologies deployed in the field, as well as developments in the international response to CW usage highlighting recent events in the Middle East Discusses the latest in organizational/interagency partitioning in terms of responsibilities for emergency response, not just in the United States but at the international level—whether prevention, mitigation, medical care, reclamation, or medico-legal aspects of such response Contains the most current research from bench-level experts The third edition contains the most up-to-date and comprehensive coverage of the question of chemical warfare agent employment on the battlefield or in terrorism. Edited by workers that have been in the field for 35+ years, it remains faithful to the scientific "constants," while evaluating and crediting the advances by the industry that have made us safer.

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment

Author : Kunal Roy
Publisher : Academic Press
ISBN 13 : 0128016337
Total Pages : 484 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment by : Kunal Roy

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 484 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

Computational Modeling of Drugs Against Alzheimer’s Disease

Author : Kunal Roy
Publisher : Springer Nature
ISBN 13 : 1071633112
Total Pages : 492 pages
Book Rating : 4.0/5 (716 download)

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Book Synopsis Computational Modeling of Drugs Against Alzheimer’s Disease by : Kunal Roy

Download or read book Computational Modeling of Drugs Against Alzheimer’s Disease written by Kunal Roy and published by Springer Nature. This book was released on 2023-06-30 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: This second edition volume expands on the previous edition with updated descriptions on different computational methods encompassing ligand-based, structure-based, and combined approaches with their recent applications in anti-Alzheimer drug design. Different background topics like recent advancements in research on the development of novel therapies and their implications in the treatment of Alzheimer’s Disease (AD) have also been covered for completeness. Special topics like basic information science methods for insight into neurodegenerative pathogenesis, drug repositioning and network pharmacology, and online tools to predict ADMET behavior with reference to anti-Alzheimer drug development have also been included. In the Neuromethods series style, chapter include the kind of detail and key advice from the specialists needed to get successful results in your laboratory. Cutting-edge and thorough, Computational Modeling of Drugs Against Alzheimer’s Disease, Second Edition is a valuable resource for all researchers and scientists interested in learning more about this important and developing field.

Oncogenic Viruses Volume 2

Author : Moulay Mustapha Ennaji
Publisher : Academic Press
ISBN 13 : 032385916X
Total Pages : 417 pages
Book Rating : 4.3/5 (238 download)

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Book Synopsis Oncogenic Viruses Volume 2 by : Moulay Mustapha Ennaji

Download or read book Oncogenic Viruses Volume 2 written by Moulay Mustapha Ennaji and published by Academic Press. This book was released on 2022-09-14 with total page 417 pages. Available in PDF, EPUB and Kindle. Book excerpt: Oncogenic Viruses: Medical Applications of Viral Oncology Research, Volume Two builds on the introductory overview of Volume One, Oncogenic Viruses: Fundamentals of Oncogenic Viruses. It looks at recent advances and medical application of research studies on oncoviruses, including examining oncoviruses on a molecular level, covers diagnostic and prognostic viral biomarkers and identifying biomarkers in specific human cancers, and delves into prevention, treatment and the future of cancer therapy of oncoviruses, antiviral activities and vaccination strategies. Advanced topics and the future direction of oncovirology round out the book. This book is a comprehensive reference for researchers and practitioners engaged in learning more about the role of oncogenic viruses in the pathogenesis of human cancers and how that information can be applied to identify strategies for prevention and treatment. Explores the biology of oncoviruses and mechanisms of action on a cellular level Examines recent advances in oncoviruses prevention and curative treatments Discusses the use of modeling and bioinformatics in research studies on oncoviruses

Computational Nanotoxicology

Author : Agnieszka Gajewicz
Publisher : CRC Press
ISBN 13 : 1000681424
Total Pages : 287 pages
Book Rating : 4.0/5 (6 download)

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Book Synopsis Computational Nanotoxicology by : Agnieszka Gajewicz

Download or read book Computational Nanotoxicology written by Agnieszka Gajewicz and published by CRC Press. This book was released on 2019-11-13 with total page 287 pages. Available in PDF, EPUB and Kindle. Book excerpt: The development of computational methods that support human health and environmental risk assessment of engineered nanomaterials has attracted great interest because the application of these methods enables us to fill existing experimental data gaps. However, considering the high degree of complexity and multifunctionality of engineered nanoparticles, computational methods originally developed for regular (i.e., classic) chemicals cannot always be applied explicitly in nanotoxicology. Thus, the main idea of this book is to discuss the current state of the art and future needs in the development of computational modeling techniques for nanotoxicology. The book focuses on methodology. Among various in silico techniques, special attention is given to (i) computational chemistry (quantum mechanics, semi-empirical methods, density functional theory, molecular mechanics, molecular dynamics); (ii) nanochemoinformatic methods (quantitative structure–activity relationship modeling, grouping, read-across); and (iii) nanobioinformatic methods (genomics, transcriptomics, proteomics, metabolomics).