Coverart for item
The Resource Applied chemoinformatics : achievements and future opportunities, editors: Thomas Engel, Johann Gasteiger, (electronic book)

Applied chemoinformatics : achievements and future opportunities, editors: Thomas Engel, Johann Gasteiger, (electronic book)

Label
Applied chemoinformatics : achievements and future opportunities
Title
Applied chemoinformatics
Title remainder
achievements and future opportunities
Statement of responsibility
editors: Thomas Engel, Johann Gasteiger
Contributor
Editor
Subject
Language
eng
Member of
Cataloging source
NhCcYBP
Dewey number
542/.85
Index
index present
LC call number
QD39.3.E46
LC item number
A66 2018
Literary form
non fiction
Nature of contents
dictionaries
http://library.link/vocab/relatedWorkOrContributorName
  • Engel, Thomas
  • Gasteiger, J.
  • Wiley InterScience (Online service)
Series statement
CHEMOINFORMATICS
http://library.link/vocab/subjectName
Cheminformatics
Label
Applied chemoinformatics : achievements and future opportunities, editors: Thomas Engel, Johann Gasteiger, (electronic book)
Instantiates
Publication
Note
Includes index
Antecedent source
unknown
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
Introduction / Thomas Engel, Johann Gasteiger -- QSAR/QSPR / Wolfgang Sippl, Dina Robaa -- Prediction of Physicochemical Properties of Compounds / Igor V Tetko, Aixia Yan, Johann Gasteiger -- Chemical Reactions -- Chemical Reactions. Chemical Reactions - An Introduction / Johann Gasteiger -- Reaction Prediction and Synthesis Design / Jonathan M Goodman -- Explorations into Biochemical Pathways / Oliver Sacher, Johann Gasteiger -- Structure-Spectrum Correlations and Computer-Assisted Structure Elucidation / Joao Aires de Sousa -- Drug Discovery: An Overview / Lothar Terfloth, Simon Spycher, Johann Gasteiger -- Bridging Information on Drugs, Targets, and Diseases / Andreas Steffen, Bertram Weiss -- Chemoinformatics in Natural Product Research / Teresa Kaserer, Daniela Schuster, Judith M Rollinger -- Chemoinformatics of Chinese Herbal Medicines / Jun Xu -- PubChem / Wolf-D Ihlenfeldt -- Pharmacophore Perception and Applications / Thomas Seidel, Gerhard Wolber, Manuela S Murgueitio -- Prediction, Analysis, and Comparison of Active Sites / Andrea Volkamer, Mathias M Behren, Stefan Bietz, Matthias Rarey -- Structure-Based Virtual Screening / Adrian Kolodzik, Nadine Schneider, Matthias Rarey -- Prediction of ADME Properties / Aixia Yan -- Prediction of Xenobiotic Metabolism / Anthony Long, Ernest Murray -- Chemoinformatics at the CADD Group of the National Cancer Institute / Megan L Peach, Marc C Nicklaus -- Uncommon Data Sources for QSAR Modeling / Alexander Tropsha -- Future Perspectives of Computational Drug Design / Gisbert Schneider -- Computational Approaches in Agricultural Research / Klaus-Jürgen Schleifer -- Chemoinformatics in Modern Regulatory Science / Chihae Yang, James F Rathman, Aleksey Tarkhov, Oliver Sacher, Thomas Kleinoeder, Jie Liu, Thomas Magdziarz, Aleksandra Mostraq, Joerg Marusczyk, Darshan Mehta, Christof Schwab, Bruno Bienfait -- Chemometrics in Analytical Chemistry / Anita Rácz, Dávid Bajusz, Károly Héberger -- Chemoinformatics in Food Science / Andrea Peña-Castillo, Oscar Méndez-Lucio, John R Owen, Karina Martínez-Mayorga, José L Medina-Franco -- Computational Approaches to Cosmetics Products Discovery / Soheila Anzali, Frank Pflücker, Lilia Heider, Alfred Jonczyk -- Applications in Materials Science / Tu C Le, David A Winkler -- Process Control and Soft Sensors / Kimito Funatsu -- Future Directions / Johann Gasteiger
Control code
99982716094
Dimensions
unknown
Extent
1 online resource.
File format
unknown
Form of item
online
Isbn
9783527342013
Level of compression
unknown
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Quality assurance targets
not applicable
Reformatting quality
unknown
Sound
unknown sound
Specific material designation
remote
Label
Applied chemoinformatics : achievements and future opportunities, editors: Thomas Engel, Johann Gasteiger, (electronic book)
Publication
Note
Includes index
Antecedent source
unknown
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
Introduction / Thomas Engel, Johann Gasteiger -- QSAR/QSPR / Wolfgang Sippl, Dina Robaa -- Prediction of Physicochemical Properties of Compounds / Igor V Tetko, Aixia Yan, Johann Gasteiger -- Chemical Reactions -- Chemical Reactions. Chemical Reactions - An Introduction / Johann Gasteiger -- Reaction Prediction and Synthesis Design / Jonathan M Goodman -- Explorations into Biochemical Pathways / Oliver Sacher, Johann Gasteiger -- Structure-Spectrum Correlations and Computer-Assisted Structure Elucidation / Joao Aires de Sousa -- Drug Discovery: An Overview / Lothar Terfloth, Simon Spycher, Johann Gasteiger -- Bridging Information on Drugs, Targets, and Diseases / Andreas Steffen, Bertram Weiss -- Chemoinformatics in Natural Product Research / Teresa Kaserer, Daniela Schuster, Judith M Rollinger -- Chemoinformatics of Chinese Herbal Medicines / Jun Xu -- PubChem / Wolf-D Ihlenfeldt -- Pharmacophore Perception and Applications / Thomas Seidel, Gerhard Wolber, Manuela S Murgueitio -- Prediction, Analysis, and Comparison of Active Sites / Andrea Volkamer, Mathias M Behren, Stefan Bietz, Matthias Rarey -- Structure-Based Virtual Screening / Adrian Kolodzik, Nadine Schneider, Matthias Rarey -- Prediction of ADME Properties / Aixia Yan -- Prediction of Xenobiotic Metabolism / Anthony Long, Ernest Murray -- Chemoinformatics at the CADD Group of the National Cancer Institute / Megan L Peach, Marc C Nicklaus -- Uncommon Data Sources for QSAR Modeling / Alexander Tropsha -- Future Perspectives of Computational Drug Design / Gisbert Schneider -- Computational Approaches in Agricultural Research / Klaus-Jürgen Schleifer -- Chemoinformatics in Modern Regulatory Science / Chihae Yang, James F Rathman, Aleksey Tarkhov, Oliver Sacher, Thomas Kleinoeder, Jie Liu, Thomas Magdziarz, Aleksandra Mostraq, Joerg Marusczyk, Darshan Mehta, Christof Schwab, Bruno Bienfait -- Chemometrics in Analytical Chemistry / Anita Rácz, Dávid Bajusz, Károly Héberger -- Chemoinformatics in Food Science / Andrea Peña-Castillo, Oscar Méndez-Lucio, John R Owen, Karina Martínez-Mayorga, José L Medina-Franco -- Computational Approaches to Cosmetics Products Discovery / Soheila Anzali, Frank Pflücker, Lilia Heider, Alfred Jonczyk -- Applications in Materials Science / Tu C Le, David A Winkler -- Process Control and Soft Sensors / Kimito Funatsu -- Future Directions / Johann Gasteiger
Control code
99982716094
Dimensions
unknown
Extent
1 online resource.
File format
unknown
Form of item
online
Isbn
9783527342013
Level of compression
unknown
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Quality assurance targets
not applicable
Reformatting quality
unknown
Sound
unknown sound
Specific material designation
remote

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