Coverart for item
The Resource Chemoinformatics : basic concepts and methods, edited by Thomas Engel and Johann Gasteiger, (electronic book)

Chemoinformatics : basic concepts and methods, edited by Thomas Engel and Johann Gasteiger, (electronic book)

Label
Chemoinformatics : basic concepts and methods
Title
Chemoinformatics
Title remainder
basic concepts and methods
Statement of responsibility
edited by Thomas Engel and Johann Gasteiger
Contributor
Editor
Subject
Language
eng
Member of
Cataloging source
NhCcYBP
Dewey number
615.1900285
Illustrations
illustrations
Index
index present
LC call number
QD39.3.E46
LC item number
C44 2018
Literary form
non fiction
Nature of contents
  • dictionaries
  • bibliography
http://library.link/vocab/relatedWorkOrContributorDate
1942-
http://library.link/vocab/relatedWorkOrContributorName
  • Engel, Thomas
  • Gasteiger, J.
  • EBSCOhost
http://library.link/vocab/subjectName
Cheminformatics
Label
Chemoinformatics : basic concepts and methods, edited by Thomas Engel and Johann Gasteiger, (electronic book)
Instantiates
Publication
Copyright
Antecedent source
unknown
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
Contents
Front Matter -- Introduction / Thomas Engel, Johann Gasteiger -- Principles of Molecular Representations / Thomas Engel -- Computer Processing of Chemical Structure Information / Thomas Engel, Oliver Sacher, Adrian Kolodzik, Matthias Rarey, Joao Aires de Sousa, Thomas Engel, Christof Schwab, Thomas Engel -- Representation of Chemical Reactions / Oliver Sacher, Johann Gasteiger -- The Data / Jarosław Tomczak, Giorgi Lekishvili -- Databases and Data Sources in Chemistry / Engelbert Zass, Thomas Engel -- Searching Chemical Structures / Nikolay Kochev, Valentin Monev, Ivan Bangov -- Computational Chemistry -- Empirical Approaches to the Calculation of Properties / Johann Gasteiger -- Molecular Mechanics / Harald Lanig -- Molecular Dynamics / Harald Lanig -- Quantum Mechanics / Tim Clark -- Modeling and Prediction of Properties (QSPR/QSAR) / Johann Gasteiger -- Calculation of Structure Descriptors / Lothar Terfloth, Johann Gasteiger -- Data Analysis and Data Handling (QSPR/QSAR) -- Methods for Multivariate Data Analysis / Kurt Varmuza -- Artificial Neural Networks (ANNs) / Jure Zupan -- Deep and Shallow Neural Networks / David A Winkler -- QSAR/QSPR Revisited / Alexander Golbraikh, Alexander Tropsha -- Bioinformatics / Heinrich Sticht -- Future Directions / Johann Gasteiger -- Answers Section
Control code
99982716085
Dimensions
unknown
Extent
1 online resource ()
File format
unknown
Form of item
online
Isbn
9783527331093
Level of compression
unknown
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other physical details
illustrations.
Quality assurance targets
not applicable
Reformatting quality
unknown
Sound
unknown sound
Specific material designation
remote
Label
Chemoinformatics : basic concepts and methods, edited by Thomas Engel and Johann Gasteiger, (electronic book)
Publication
Copyright
Antecedent source
unknown
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
Contents
Front Matter -- Introduction / Thomas Engel, Johann Gasteiger -- Principles of Molecular Representations / Thomas Engel -- Computer Processing of Chemical Structure Information / Thomas Engel, Oliver Sacher, Adrian Kolodzik, Matthias Rarey, Joao Aires de Sousa, Thomas Engel, Christof Schwab, Thomas Engel -- Representation of Chemical Reactions / Oliver Sacher, Johann Gasteiger -- The Data / Jarosław Tomczak, Giorgi Lekishvili -- Databases and Data Sources in Chemistry / Engelbert Zass, Thomas Engel -- Searching Chemical Structures / Nikolay Kochev, Valentin Monev, Ivan Bangov -- Computational Chemistry -- Empirical Approaches to the Calculation of Properties / Johann Gasteiger -- Molecular Mechanics / Harald Lanig -- Molecular Dynamics / Harald Lanig -- Quantum Mechanics / Tim Clark -- Modeling and Prediction of Properties (QSPR/QSAR) / Johann Gasteiger -- Calculation of Structure Descriptors / Lothar Terfloth, Johann Gasteiger -- Data Analysis and Data Handling (QSPR/QSAR) -- Methods for Multivariate Data Analysis / Kurt Varmuza -- Artificial Neural Networks (ANNs) / Jure Zupan -- Deep and Shallow Neural Networks / David A Winkler -- QSAR/QSPR Revisited / Alexander Golbraikh, Alexander Tropsha -- Bioinformatics / Heinrich Sticht -- Future Directions / Johann Gasteiger -- Answers Section
Control code
99982716085
Dimensions
unknown
Extent
1 online resource ()
File format
unknown
Form of item
online
Isbn
9783527331093
Level of compression
unknown
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other physical details
illustrations.
Quality assurance targets
not applicable
Reformatting quality
unknown
Sound
unknown sound
Specific material designation
remote

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