Computational Toxicology Methods and Protocols
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 a
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Orazio Nicolotti Editor
Computational Toxicology Methods and Protocols
Methods
in
M o l e c u l a r B i o lo g y
Series Editor John M. Walker School of Life and Medical Sciences University of Hertfordshire Hatfield, Hertfordshire, AL10 9AB, UK
For further volumes: http://www.springer.com/series/7651
Computational Toxicology Methods and Protocols
Edited by
Orazio Nicolotti Dipartimento di Farmacia-Scienze del Farmaco, Università degli Studi di Bari Aldo Moro, Bari, Italy
Editor Orazio Nicolotti Dipartimento di Farmacia-Scienze del Farmaco Università degli Studi di Bari Aldo Moro Bari, Italy
ISSN 1064-3745 ISSN 1940-6029 (electronic) Methods in Molecular Biology ISBN 978-1-4939-7898-4 ISBN 978-1-4939-7899-1 (eBook) https://doi.org/10.1007/978-1-4939-7899-1 Library of Congress Control Number: 2018943843 © Springer Science+Business Media, LLC, part of Springer Nature 2018 This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission or information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology now known or hereafter developed. The use of general descriptive names, registered names, trademarks, service marks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. The publisher, the authors and the editors are safe to assume that the advice and information in this book are believed to be true and accurate at the date of publication. Neither the publisher nor the authors or the editors give a warranty, express or implied, with respect to the material contained herein or for any errors or omissions that may have been made. The publisher remains neutral with regard to jurisdictional claims in published maps and institutional affiliations. Printed on acid-free paper This Humana Press imprint is published by the registered company Springer Science+Business Media, LLC part of Springer Nature. The registered company address is: 233 Spring Street, New York, NY 10013, U.S.A.
Dedication To Chiara and Maria Giovanna
v
Preface I first heard about computational toxicology about ten years ago when I was asked to apply elsewhere modeling predictive strategies, typical of rational drug design. This was the way I started this challenging journey. Walking toward this emerging field was quite natural although goals and objectives were rather different. At present, I would say that computational toxicology is a blend of knowledge embracing medicinal chemistry, pharmacology, organic chemistry, biochemistry, clinical and forensic medicine, and other attractive disciplines. Anyhow, I would say that computing has evolved toxicology from a mostly empirical level based on disease-
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