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

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

Label
An introduction to chemoinformatics
Title
An introduction to chemoinformatics
Statement of responsibility
by Andrew R. Leach and Valerie J. Gillet
Creator
Contributor
Subject
Language
eng
Cataloging source
DLC
http://library.link/vocab/creatorName
Leach, Andrew R
Dewey number
615/.19/0285
LC call number
RS418
LC item number
.L435 2003
NLM call number
  • 2004 H-020
  • QV 744
NLM item number
L434i 2003
http://library.link/vocab/relatedWorkOrContributorName
Gillet, Valerie J
http://library.link/vocab/subjectName
  • Drug Design
  • Chemistry, Pharmaceutical
  • Combinatorial Chemistry Techniques
  • Computer-Aided Design
Label
An introduction to chemoinformatics, by Andrew R. Leach and Valerie J. Gillet, (electronic resource)
Instantiates
Publication
Bibliography note
Includes bibliographical references (p. [219]-249) and index
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 -- Appendix 1. Matrices, eigenvectors and eigenvalues -- Appendix 2. Conformation, energy calculations and energy surfaces
  • 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 -- Appendix 1. Matrices, eigenvectors and eigenvalues -- Appendix 2. Conformation, energy calculations and energy surfaces
Control code
OCM1bookssj0001980917
Dimensions
unknown
Isbn
9781402013478
Isbn Type
(alk. paper)
Lccn
2003052181
Specific material designation
remote
System control number
(WaSeSS)bookssj0001980917
Label
An introduction to chemoinformatics, by Andrew R. Leach and Valerie J. Gillet, (electronic resource)
Publication
Bibliography note
Includes bibliographical references (p. [219]-249) and index
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 -- Appendix 1. Matrices, eigenvectors and eigenvalues -- Appendix 2. Conformation, energy calculations and energy surfaces
  • 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 -- Appendix 1. Matrices, eigenvectors and eigenvalues -- Appendix 2. Conformation, energy calculations and energy surfaces
Control code
OCM1bookssj0001980917
Dimensions
unknown
Isbn
9781402013478
Isbn Type
(alk. paper)
Lccn
2003052181
Specific material designation
remote
System control number
(WaSeSS)bookssj0001980917

Library Locations

    • Curtis Laws Wilson LibraryBorrow it
      400 West 14th Street, Rolla, MO, 65409, US
      37.955220 -91.772210
Processing Feedback ...