Computational Chemogenomics
This thorough book provides a collection of techniques used in the emerging field of computational chemogenomics, which is an integration of chemoinformatics, bioinformatics, computer science, statistics, automated pattern recognition and modeling, databa
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J.B. Brown Editor
Computational Chemogenomics
METHODS
IN
MOLECULAR BIOLOGY
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 Chemogenomics Edited by
J.B. Brown Life Science Informatics Research Unit, Laboratory of Molecular Biosciences, Kyoto University Graduate School of Medicine, Kyoto, Japan
Editor J.B. Brown Life Science Informatics Research Unit Laboratory of Molecular Biosciences Kyoto University Graduate School of Medicine Kyoto, Japan
ISSN 1064-3745 ISSN 1940-6029 (electronic) Methods in Molecular Biology ISBN 978-1-4939-8638-5 ISBN 978-1-4939-8639-2 (eBook) https://doi.org/10.1007/978-1-4939-8639-2 Library of Congress Control Number: 2018952357 © 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. Cover Illustration: The cover image shows the inhibitory activity of compounds against aromatase, a critical hormoneprocessing enzyme in many organisms. Each point represents one compound. Green and yellow colors indicate highly weak or micromolar activity, red points represent strong activity, and purple points indicate single-digit nanomolar activity or stronger. Compounds are positioned by relative distance using multi-dimensional scaling. Activity cliffs can be seen where large changes in activity occur between closely spaced compounds, which are often analogs. 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.
Preface This book provides a collection of techniques used in the emerging field of computational chemogenomics. It covers practical processes to execute research an
