The Resource Chemoinformatics : a textbook, Johann Gasteiger, Thomas Engel (eds.)
Chemoinformatics : a textbook, Johann Gasteiger, Thomas Engel (eds.)
Resource Information
The item Chemoinformatics : a textbook, Johann Gasteiger, Thomas Engel (eds.) represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in University of Liverpool.This item is available to borrow from 1 library branch.
Resource Information
The item Chemoinformatics : a textbook, Johann Gasteiger, Thomas Engel (eds.) represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in University of Liverpool.
This item is available to borrow from 1 library branch.
- 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
- Language
- eng
- Extent
- xxx, 649 p.
- 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
- Isbn
- 9783527306817
- Label
- Chemoinformatics : a textbook
- Title
- Chemoinformatics
- Title remainder
- a textbook
- Statement of responsibility
- Johann Gasteiger, Thomas Engel (eds.)
- 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.)
- 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.)
- 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.
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<div class="citation" vocab="http://schema.org/"><i class="fa fa-external-link-square fa-fw"></i> Data from <span resource="http://link.liverpool.ac.uk/portal/Chemoinformatics--a-textbook-Johann-Gasteiger/LEfQCTRWrng/" typeof="Book http://bibfra.me/vocab/lite/Item"><span property="name http://bibfra.me/vocab/lite/label"><a href="http://link.liverpool.ac.uk/portal/Chemoinformatics--a-textbook-Johann-Gasteiger/LEfQCTRWrng/">Chemoinformatics : a textbook, Johann Gasteiger, Thomas Engel (eds.)</a></span> - <span property="potentialAction" typeOf="OrganizeAction"><span property="agent" typeof="LibrarySystem http://library.link/vocab/LibrarySystem" resource="http://link.liverpool.ac.uk/"><span property="name http://bibfra.me/vocab/lite/label"><a property="url" href="http://link.liverpool.ac.uk/">University of Liverpool</a></span></span></span></span></div>
