Coverart for item
The Resource An introduction to chemoinformatics, Andrew R. Leach and Valerie J. Gillet, (electronic book)

An introduction to chemoinformatics, Andrew R. Leach and Valerie J. Gillet, (electronic book)

Label
An introduction to chemoinformatics
Title
An introduction to chemoinformatics
Statement of responsibility
Andrew R. Leach and Valerie J. Gillet
Creator
Contributor
Subject
Language
eng
Summary
Chemoinformatics draws upon techniques from many disciplines including computer science, mathematics, computational chemistry and data visualisation to tackle these problems. This, the first text written specifically for this field, aims to provide an introduction to the major techniques of chemoinformatics. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature. The book is aimed at graduate students, final-year undergraduates, and professional scientists. No prior knowledge is assumed other than a familiarity with chemistry and some basic mathematical concepts
Member of
Cataloging source
GW5XE
http://library.link/vocab/creatorName
Leach, Andrew R
Dewey number
542.8
Index
index present
LC call number
QD39.3.E46
LC item number
L43 2007eb
Literary form
non fiction
Nature of contents
  • dictionaries
  • bibliography
http://library.link/vocab/relatedWorkOrContributorName
Gillet, Valerie J
http://library.link/vocab/subjectName
Cheminformatics
Label
An introduction to chemoinformatics, Andrew R. Leach and Valerie J. Gillet, (electronic book)
Instantiates
Publication
Note
Previous edition: 2003
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Color
multicolored
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Control code
SPR189030231
Dimensions
unknown
Edition
Rev ed.
Extent
1 online resource (1 volume)
Form of item
online
Isbn
9781402062902
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other control number
10.1007/978-1-4020-6291-9
Specific material designation
remote
Label
An introduction to chemoinformatics, Andrew R. Leach and Valerie J. Gillet, (electronic book)
Publication
Note
Previous edition: 2003
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Color
multicolored
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Control code
SPR189030231
Dimensions
unknown
Edition
Rev ed.
Extent
1 online resource (1 volume)
Form of item
online
Isbn
9781402062902
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other control number
10.1007/978-1-4020-6291-9
Specific material designation
remote

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