Molecular Descriptors for Chemoinformatics, Second Edition: Volume I: Alphabetical Listing Volume II: Appendices, References (Methods and Principles in Medicinal Chemistry, Volume 41)

1265 Pages·2009·8.63 MB·English

by  Roberto Todeschini

Molecular Descriptors for
Chemoinformatics,
Volumes I & II
Roberto Todeschini
Viviana Consonni
WILEY-VCH
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Roberto Todeschini and
Viviana Consonni
Molecular Descriptors for
Chemoinformatics
Methods and Principles in Medicinal Chemistry
Editedby R. Mannhold,H.Kubinyi, G.Folkers
EditorialBoard
H.Timmerman, J.Vacca, H.van de Waterbeemd, T.Wieland
Previous Volumes of this Series:
D.A.Smith, H.vande Waterbeemd, K.Wanner,G. Höfner(Eds.)
D.K.Walker
Mass Spectrometry in
Pharmacokinetics and Medicinal Chemistry
Metabolism in Drug Design,
Vol.36
2ndEd.
2007,ISBN978-3-527-31456-0
Vol.31
2006,ISBN978-3-527-31368-6 R.Mannhold (Ed.)
Molecular Drug Properties
T.Langer, R.D.Hofmann (Eds.)
Vol.37
Pharmacophores and
Pharmacophore Searches 2008,ISBN978-3-527-31755-4
Vol.32
R.J. Vaz,T.Klabunde (Eds.)
2006,ISBN978-3-527-31250-4 Antitargets
E.Francotte, W.Lindner (Eds.) Vol.38
Chirality in Drug Research 2008,ISBN978-3-527-31821-6
Vol.33
E.Ottow,H.Weinmann (Eds.)
2006,ISBN978-3-527-31076-0
Nuclear Receptors as
W.Jahnke, D. A.Erlanson(Eds.) Drug Targets
Fragment-based Approaches Vol.39
in Drug Discovery
2008,ISBN978-3-527-31872-8
Vol.34
H.van de Waterbeemd,
2006,ISBN978-3-527-31291-7
B.Testa (Eds.)
J.Hüser (Ed.) Drug Bioavailability,
High-Throughput Screening 2ndEd.
Vol.40
in Drug Discovery
Vol.35 2009,ISBN978-3-527-31872-8
2006,ISBN978-3-527-31283-2
Roberto Todeschini and Viviana Consonni
Molecular Descriptors for
Chemoinformatics
Volume I: Alphabetical Listing
Second, Revised and Enlarged Edition
SeriesEditors AllbookspublishedbyWiley-VCHarecarefully
produced.Nevertheless,authors,editors,and
Prof.Dr.RaimundMannhold publisherdonotwarranttheinformationcontained
MolecularDrugResearchGroup inthesebooks,includingthisbook,tobefreeof
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Background:Frontofatabletfragment
ofamiddleAssyriancode.
Foreground:Drawingofphenylurea.
Thisbookisdedicatedwithloveto
Alessia,Davide,Edoardo,Marco,Milo,Marilena,andGiovanni
A good scientist should have the imagination of a child, the
determination of a boy, the rationality of a man, and the
experienceofanoldman.Thedifficultyistohaveallthesequalities
at the same time.
R.T.
Any alternative viewpoint with a different emphasis leads to an
inequivalent description. There is only one reality but there are
many points of view.
Itwouldbeverynarrow-mindedtouseonlyonecontext:wehaveto
learn to be able imagining points of view.
HansPrimasinChemistry,QuantumMechanicsand
Reductionism
(Springer-Verlag,1981)

VII
Contents
Volume I
Dedication V
TheAuthors IX
Acknowledgments X
Preface XI
APersonalForeword XIII
Introduction XV
HistoricalPerspective XXIII
QSAR/QSPRModeling XXVII
HowtoLearnFromThisBook XXXIII
User’sGuide XXXVII
NotationsandSymbols XXXIX
AlphabeticalListing
A 1
B 39
C 77
D 179
E 237
F 311
G 325
H 367
I 395
J 425
K 427
L 433
M 475
N 563