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Chemoinformatics
in Drug Discovery
Edited by
Tudor I. Oprea
Methods and Principles in Medicinal Chemistry
Edited by R. Mannhold, H. Kubinyi, G. Folkers
Editorial Board
H.-D. H oltje, H. Timmerman, J. Vacca, H. van de Waterbeemd, T. Wieland
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Chemoinformatics in Drug Discovery
Edited by
Tudor I. Oprea
Series Editors:
This books published by Wiley-VCH are carefully
produced. Nevertheless, authors, editors, and
publisher do not warrant the information con-
tained in these books, including this book, to be
free of errors. Readers are advised to keep in
mind that statements, data, illustrations, pro-
cedural details or other items may inadvertently
be inaccurate.
Prof. Dr. Raimund Mannhold
Biomedical Research Center
Molecular Drug Research Group
Heinrich-Heine-Universitat
Universitatsstrasse 1
40225 D usseldorf
Germany
raimund.mannhold@uni-duesseldorf.de
Library of Congress Card No.: Applied for
British Library Cataloging-in-Publication Data A
catalogue record for this book is available from
the British Library.
Prof. Dr. Hugo Kubinyi
Donnersbergstrasse 9
67256 Weisenheim and Sand
Germany
kubinyi@t-online.de
Bibliographic information published by Die
Deutsche Bibliothek
Die Deutsche Bibliothek lists this publication in
the Deutsche Nationalbibliografie; detailed
bibliographic data is available in the internet at
http://dnb.ddb.de.
Prof. Dr. Gerd Folkers
Department of Applied Biosciences
ETH Z urich
Winterthurerstrasse 19
8057 Z urich
Switzerland
folkers@pharma.anbi.ethz.ch
2005 WILEY-VCH Verlag GmbH & Co.
KGaA Weinheim
All rights reserved (including those of
translation into other languages). No part of this
book may be reproduced in any form – nor
transmitted or translated into machine language
without written permission from the publishers.
Registered names, trademarks, etc. used in this
book, even when not specifically marked as such,
are not to be considered unprotected by law.
Volume Editor:
Prof. Dr. Tudor I. Oprea
Division of Biocomputing
MSC08 4560
University of New Mexico
School of Medicine
Albuquerque, NM 87131
USA
Printed in the Federal Republic of Germany
Printed on acid-free paper
Composition
Laserwords Private Ltd,
Chennai, India
Printing
betz-druck GmbH, Darmstadt
Bookbinding
Litges & Dopf Buchbinderei
GmbH, Heppenheim
ISBN-13
: 978-3-527-30753-1
ISBN-10
: 3-527-30753-2
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