Titel:	Computational toxicology
Titelzusatz:	methods and protocols
Mitwirkende:	Nicolotti, Orazio [HerausgeberIn]
Verf.angabe:	edited by Orazio Nicolotti, Dipartimento di Farmacia-Scienze del Farmaco, Università degli Studi di Bari Aldo Moro, Bari, Italy
Verlagsort:	New York, NY
Verlag:	Humana Press
E-Jahr:	2018
Jahr:	[2018]
Umfang:	xvi, 587 Seiten
Illustrationen:	Illustrationen
Gesamttitel/Reihe:	Methods in molecular biology ; 1800
Fussnoten:	Includes index
Ang. zum Inhalt:	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.
ISBN:	978-1-4939-7898-4
Abstract:	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
URL:	Inhaltsverzeichnis: http://digitale-objekte.hbz-nrw.de/storage2/2018/08/07/file_13/8129451.pdf
Schlagwörter:	(s)Toxikologie    / (s)Bioinformatik
	(s)Toxikologie    / (s)Bioinformatik
Sprache:	eng
RVK-Notation:	VT 5353
K10plus-PPN:	1641037199
Verknüpfungen:	→ Übergeordnete Aufnahme