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The Resource Chemoinformatics : a textbook, Johann Gasteiger, Thomas Engel (eds.)

Chemoinformatics : a textbook, Johann Gasteiger, Thomas Engel (eds.)

Label
Chemoinformatics : a textbook
Title
Chemoinformatics
Title remainder
a textbook
Statement of responsibility
Johann Gasteiger, Thomas Engel (eds.)
Contributor
Subject
Language
eng
Summary
This first work to be devoted entirely to this increasingly important field, the "Textbook" provides both an in-depth and comprehensive overview of this exciting new area. Edited by Johann Gasteiger and Thomas Engel, the book provides an introduction to the representation of molecular structures and reactions, data types and databases/data sources, search methods, methods for data analysis as well as such applications as structure elucidation, reaction simulation, synthesis planning and drug design. A hands-on approach with step-by-step tutorials and detailed descriptions of software tools and Internet resources allows easy access for newcomers, advanced users and lecturers alike. For a more detailed presentation, users are referred to the "Handbook of Chemoinformatics", which will be published separately. Johann Gasteiger is the recipient of the 1991 Gmelin-Beilstein Medal of the German Chemical Society for Achievements in Computer Chemistry, and the Herman Skolnik Award of the Division of Chemical Information of the American Chemical Society (ACS) in 1997. Thomas Engel joined the research group headed by Johann Gasteiger at the University of Erlangen-Nuremberg and is a specialist in chemoinformatics
Cataloging source
UKM
Illustrations
  • illustrations
  • portraits
Index
index present
Literary form
non fiction
Nature of contents
bibliography
http://library.link/vocab/relatedWorkOrContributorName
  • Gasteiger, J.
  • Engel, Thomas
http://library.link/vocab/subjectName
Cheminformatics
Label
Chemoinformatics : a textbook, Johann Gasteiger, Thomas Engel (eds.)
Instantiates
Publication
Bibliography note
Includes bibliographical references 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
  • Foreword
  • Preface
  • Addresses of the Authors
  • 1.
  • Introduction.
  • p. 1
  • 2.
  • Representation of Chemical Compounds.
  • p. 15
  • 3.
  • Representation of Chemical Reactions.
  • p. 169
  • 4.
  • Data.
  • p. 203
  • 5.
  • Databases and Data Sources in Chemistry.
  • p. 227
  • 6.
  • Searching Chemical Structures.
  • p. 291
  • 7.
  • Calculation of Physical and Chemical Data.
  • p. 319
  • 8.
  • Calculation of Structure Descriptors.
  • p. 401
  • 9.
  • Methods for Data Analysis.
  • p. 439
  • 10.
  • Applications.
  • p. 487
  • 11.
  • Future Directions.
  • p. 619
  • Appendix.
  • p. 627
  • Index.
  • p. 635
Control code
DCLC2004296249-B
Dimensions
25 cm.
Extent
xxx, 649 p.
Isbn
9783527306817
Lccn
2004296249
Media category
unmediated
Media MARC source
rdamedia
Media type code
  • n
Other physical details
ill., ports.
Label
Chemoinformatics : a textbook, Johann Gasteiger, Thomas Engel (eds.)
Publication
Bibliography note
Includes bibliographical references 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
  • Foreword
  • Preface
  • Addresses of the Authors
  • 1.
  • Introduction.
  • p. 1
  • 2.
  • Representation of Chemical Compounds.
  • p. 15
  • 3.
  • Representation of Chemical Reactions.
  • p. 169
  • 4.
  • Data.
  • p. 203
  • 5.
  • Databases and Data Sources in Chemistry.
  • p. 227
  • 6.
  • Searching Chemical Structures.
  • p. 291
  • 7.
  • Calculation of Physical and Chemical Data.
  • p. 319
  • 8.
  • Calculation of Structure Descriptors.
  • p. 401
  • 9.
  • Methods for Data Analysis.
  • p. 439
  • 10.
  • Applications.
  • p. 487
  • 11.
  • Future Directions.
  • p. 619
  • Appendix.
  • p. 627
  • Index.
  • p. 635
Control code
DCLC2004296249-B
Dimensions
25 cm.
Extent
xxx, 649 p.
Isbn
9783527306817
Lccn
2004296249
Media category
unmediated
Media MARC source
rdamedia
Media type code
  • n
Other physical details
ill., ports.

Library Locations

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      Ashton Street, Liverpool, L69 3DA, GB
      53.418074 -2.967913
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