Chemoinformatics and Computational Chemical Biology
Over the past years, the chem(o)informatics field has further evolved and new application areas have opened up, for example, in the broadly defined area of chemical biology. In Chemoinformatics and Computational Chemical Biology, leading investigators bri
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IN
MOLECULAR BIOLOGY™
Series Editor John M. Walker School of Life Sciences University of Hertfordshire Hatfield, Hertfordshire, AL10 9AB, UK
For further volumes: http://www.springer.com/series/7651
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Chemoinformatics and Computational Chemical Biology
Edited by
Jürgen Bajorath Department of Life Science Informatics, Rheinische Friedrich-Wilhelms-Universit€at, B-IT, LIMES Dahlmannstr. 2, 53113 Bonn, Germany
Editor J€ urgen Bajorath Department of Life Science Informatics Rheinische Friedrich-Wilhelms-Universita¨t B-IT, LIMES Dahlmannstr. 2 53113 Bonn Germany
ISSN 1064-3745 e-ISSN 1940-6029 ISBN 978-1-60761-838-6 e-ISBN 978-1-60761-839-3 DOI 10.1007/978-1-60761-839-3 Springer New York Dordrecht Heidelberg London Library of Congress Control Number: 2010936182 ª Springer ScienceþBusiness Media, LLC 2011 All rights reserved. This work may not be translated or copied in whole or in part without the written permission of the publisher (Humana Press, c/o Springer ScienceþBusiness Media, LLC, 233 Spring Street, New York, NY 10013, USA), except for brief excerpts in connection with reviews or scholarly analysis. Use in connection with any form of information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology now known or hereafter developed is forbidden. The use in this publication of trade names, trademarks, service marks, and similar terms, even if they are not identified as such, is not to be taken as an expression of opinion as to whether or not they are subject to proprietary rights. While the advice and information in this book are believed to be true and accurate at the date of going to press, neither the authors nor the editors nor the publisher can accept any legal responsibility for any errors or omissions that may be made. The publisher makes no warranty, express or implied, with respect to the material contained herein. Printed on acid-free paper Humana press is a part of Springer Science+Business Media (www.springer.com)
Preface In 2004, vol. 275 of the Methods in Molecular BiologyTM series was published. This book, entitled Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery, presented an array of different chemoinformatics methodologies. Now, 6 years later, a second volume focusing on chemoinformatics is introduced with the title Chemoinformatics and Computational Chemical Biology. Besides new focal points, there is a link between these volumes because eight of the lead authors who contributed in 2004 also contribute to the new book. Over the past years, the chemoinformatics field has further evolved and new application areas have opened up, one of which is highlighted in the new book. Other developing application areas for chemoinformatics approaches could have also been emphasized, but chemical biology, the study of biological functions and systems using small molecules, seemed particularly appropriate, given that this field is at least distantly related to pharmaceutical research, which has been one of the origins of chemoinfor
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