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The Resource An introduction to chemoinformatics, by Andrew R. Leach and Valerie J. Gillet

An introduction to chemoinformatics, by Andrew R. Leach and Valerie J. Gillet

Label
An introduction to chemoinformatics
Title
An introduction to chemoinformatics
Statement of responsibility
by Andrew R. Leach and Valerie J. Gillet
Creator
Contributor
Subject
Genre
Language
eng
Summary
  • "This text aims to provide a comprehensive 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."--Jacket
Cataloging source
DLC
http://library.link/vocab/creatorName
Leach, Andrew R
Illustrations
illustrations
Index
index present
LC call number
RS418
LC item number
.L435 2003
Literary form
non fiction
Nature of contents
bibliography
http://library.link/vocab/relatedWorkOrContributorName
Gillet, Valerie J
http://library.link/vocab/subjectName
  • Cheminformatics
  • Chemistry
  • Medical Informatics Computing
  • Drug Design
  • Chemistry, Pharmaceutical
  • Combinatorial Chemistry Techniques
  • Computer-Aided Design
Label
An introduction to chemoinformatics, by Andrew R. Leach and Valerie J. Gillet
Instantiates
Publication
Bibliography note
Includes bibliographical references (pages [225]-249) and index
Carrier category
volume
Carrier category code
nc
Carrier MARC source
rdacarrier
Content category
text
Content type code
txt
Content type MARC source
rdacontent
Contents
Representation and manipulation of 2D molecular structures -- Representation and manipulation of 3D molecular structures -- Molecular descriptors -- Computational models -- Similarity methods -- Selecting diverse sets of compounds -- Analysis of high-throughput screening data -- Virtual screening -- Combinatorial chemistry and library design -- Matrices, eigenvectors and eigenvalues -- Conformation, energy calculations and energy surfaces
Control code
52194211
Dimensions
25 cm
Extent
xv, 259 pages
Isbn
9781402013478
Isbn Type
(alk. paper)
Lccn
2003052181
Media category
unmediated
Media MARC source
rdamedia
Media type code
n
Other physical details
illustrations
Label
An introduction to chemoinformatics, by Andrew R. Leach and Valerie J. Gillet
Publication
Bibliography note
Includes bibliographical references (pages [225]-249) and index
Carrier category
volume
Carrier category code
nc
Carrier MARC source
rdacarrier
Content category
text
Content type code
txt
Content type MARC source
rdacontent
Contents
Representation and manipulation of 2D molecular structures -- Representation and manipulation of 3D molecular structures -- Molecular descriptors -- Computational models -- Similarity methods -- Selecting diverse sets of compounds -- Analysis of high-throughput screening data -- Virtual screening -- Combinatorial chemistry and library design -- Matrices, eigenvectors and eigenvalues -- Conformation, energy calculations and energy surfaces
Control code
52194211
Dimensions
25 cm
Extent
xv, 259 pages
Isbn
9781402013478
Isbn Type
(alk. paper)
Lccn
2003052181
Media category
unmediated
Media MARC source
rdamedia
Media type code
n
Other physical details
illustrations

Library Locations

    • J. Otto Lottes Health Sciences LibraryBorrow it
      1 Hospital Dr, Columbia, MO, 65201, US
      38.939544 -92.328377
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