| Description |
1 online resource (xvi, 587 pages) : illustrations (some color) |
| Series |
Methods in molecular biology, 1940-6029 ; volume 1800 |
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Methods in molecular biology (Clifton, N.J.) ; v. 1800. 1064-3745
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| Contents |
Molecular descriptors for structure-activity applications : a hands-on approach / Francesca Grisoni, Davide Ballabio, Roberto Todeschini, and Viviana Consonni -- OECD QSAR toolbox starts its second decade / Terry W. Schultz, Robert Diderich, Chanita D. Kuseva, and Ovanes G. Mekenyan -- QSAR : what else? / Giuseppina Gini -- (Q)SARs as adaptations to REACH information requirements / Toni Alasuvanto, Andrea Gissi, Tomasz Sobanski, Panagiotis Karamertzanis, and Mike Rasenberg -- Machine learning methods in computational toxicology / Igor I. Baskin -- Applicability domain : a step toward confident predictions and decidability for QSAR modeling / Supratik Kar, Kunal Roy, and Jerzy Leszczynski -- Molecular Similarity in Computational Toxicology / Matteo Floris and Stefania Olla -- Molecular docking for predictive toxicology / Daniela Trisciuzzi, Domenico Alberga, Francesco Leonetti, Ettore Novellino, Orazio Nicolotti, and Giuseppe F. Mangiatordi -- Criteria and application on the use of nontesting methods within a weight of evidence strategy / Anna Lombardo, Giuseppa Raitano, Domenico Gadaleta, and Emilio Benfenati -- Characterization and management of uncertainties in toxicological risk assessment : examples from the opinions of the european food safety authority / Alberto Mantovani -- Computational toxicology and drug discovery / Catrin Hasselgren and Glenn J. Myatt -- Approaching pharmacological space : events and components / Giulio Vistoli, Alessandro Pedretti, Angelica Mazzolari, and Bernard Testa -- Computational toxicology methods in chemical library design and high-throughput screening hit validation / Kirk E. Hevener -- Enalos suite : new cheminformatics platform for drug discovery and computational toxicology / Dimitra-Danai Varsou, Spyridon Nikolakopoulos, Andreas Tsoumanis, Georgia Melagraki, and Antreas Afantitis -- Ion channels in drug discovery and safety pharmacology / Paola Imbrici, Orazio Nicolotti, Francesco Leonetti, Diana Conte, and Antonella Liantonio -- Computational approaches in multitarget drug discovery / Luciana Scotti, Hamilton Mitsugu Ishiki, Marcelo Cavalcante Duarte, Tiago Branquinho Oliveira, and Marcus T. Scotti -- Nanoformulations for drug delivery : safety, toxicity, and efficacy / Antonio Lopalco and Nunzio Denora -- Toxicity potential of nutraceuticals / Ramesh C. Gupta, Ajay Srivastava, and Rajiv Lall -- Impact of pharmaceuticals on the environment : risk assessment using QSAR modeling approach / Supratik Kar, Kunal Roy, and Jerzy Leszczynski -- (Q)SAR methods for predicting genotoxicity and carcinogenicity : scientific rationale and regulatory Frameworks / Cecilia Bossa, Romualdo Benigni, Olga Tcheremenskaia, and Chiara Laura Battistelli -- Stem cell-based methods to predict developmental chemical toxicity / Hiroki Takahashi, Xian-Yang Qin, Hideko Sone, and Wataru Fujibuchi -- Predicting chemically induced skin sensitization by using in chemico/in vitro methods / Laura H. Rossi and Janine Ezendam -- Hepatotoxicity prediction by systems biology modeling of disturbed metabolic pathways using gene expression data / Oriol López-Massaguer, Manuel Pastor, Ferran Sanz, and Pablo Carbonell -- Nontest methods to predict acute toxicity : state of the art for applications of in silico methods / Ronan Bureau -- Predictive systems toxicology / Narsis A. Kiani, Ming-Mei Shang, Hector Zenil, and Jesper Tegner -- Chemoinformatic approach to assess toxicity of ionic liquids / Anita Sosnowska, Anna Rybinska-Fryca, Maciej Barycki, Karolina Jagiello, and Tomasz Puzyn -- Prediction of biochemical endpoints by the CORAL software : prejudices, paradoxes, and results / Andrey A. Toropov, Alla P. Toropova, Alessandra Roncaglioni, and Emilio Benfenati |
| Summary |
This volume explores techniques that are currently used to understand solid target-specific models in computational toxicology. The chapters are divided into four sections and discuss topics such as molecular descriptors, QSAR and read-across; molecular and data modeling techniques to comply both with scientific and regulatory sides; computational toxicology in drug discovery; and strategies on how to predict various human-health toxicology endpoints. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the methods and software tools used, step-by-step, readily reproducible computational protocols, and tips on troubleshooting and avoiding known pitfalls. Comprehensive and cutting-edge, Computational Toxicology: Methods and Protocols is a valuable resource for researchers who are interested in learning more about this expanding field |
| Notes |
Includes index |
| Bibliography |
Includes bibliographical references and index |
| Notes |
Online resource; title from PDF title page (SpringerLink, viewed June 25, 2018) |
| Subject |
Toxicology -- Data processing -- Laboratory manuals
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Mathematical models.
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QSAR (Biochemistry)
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Toxicology -- methods
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Models, Theoretical
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Computer Simulation
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Quantitative Structure-Activity Relationship
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mathematical models.
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simulation.
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Pharmacology.
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Medical -- Pharmacology.
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QSAR (Biochemistry)
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Mathematical models
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Toxicology -- Data processing
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| Genre/Form |
Laboratory manuals
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Laboratory manuals.
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Manuels de laboratoire.
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| Form |
Electronic book
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| Author |
Nicolotti, Orazio, editor
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| ISBN |
9781493978991 |
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1493978993 |
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1493978985 |
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9781493978984 |
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