Handbook of chemoinformatics algorithms:
Gespeichert in:
| Weitere Verfasser: | |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
Boca Raton [u.a.]
Chapman & Hall/CRC
2010
|
| Schriftenreihe: | Chapman & Hall/CRC mathematical and computational biology series
|
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | Includes bibliographical references and index |
| Beschreibung: | XII, 440 S. graph. Darst. |
| ISBN: | 9781420082920 |
Internformat
MARC
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| 245 | 1 | 0 | |a Handbook of chemoinformatics algorithms |c ed. by Jean-Loup Faulon ... |
| 264 | 1 | |a Boca Raton [u.a.] |b Chapman & Hall/CRC |c 2010 | |
| 300 | |a XII, 440 S. |b graph. Darst. | ||
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| 490 | 0 | |a Chapman & Hall/CRC mathematical and computational biology series | |
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| 650 | 4 | |a Cheminformatics |v Handbooks, manuals, etc | |
| 650 | 4 | |a Algorithms | |
| 650 | 4 | |a Graph theory | |
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| 999 | |a oai:aleph.bib-bvb.de:BVB01-020650979 | ||
Datensatz im Suchindex
| _version_ | 1804143387567194112 |
|---|---|
| adam_text | Contents
Preface
...................................................................
vii
Acknowledgments
.........................................................ix
Contributors
...............................................................xi
Chapter
1
Representing
Two-Dimensional (2D)
Chemical Structures
with Molecular Graphs
................................................. 1
Ovidiu Ivanciuc
Chapter
2
Algorithms to Store and Retrieve
Two-Dimensional (2D)
Chemical Structures
...................................................37
Milind Misra and
Jean-Loup
Faulon
Chapter
3
Three-Dimensional
(3D)
Molecular Representations
................65
Egon L. Willighagen
Chapter
4
Molecular Descriptors
.................................................89
Nikolas Fechner,
Georg Hinseimann,
and
Jörg Kurt Wegner
Chapter
5 Ligand-
and Structure-Based Virtual Screening
....................145
Robert D. Clark and Diana C. Roe
Chapter
6
Predictive Quantitative Structure-Activity Relationships
Modeling: Data Preparation and the General Modeling
Workflow
.............................................................173
Alexander Tropsha and Alexander Golbraikh
Chapter
7
Predictive Quantitative Structure-Activity Relationships
Modeling: Development and Validation of QSAR Models
.........211
Alexander Tropsha and Alexander Golbraikh
Chapter
8
Structure Enumeration and Sampling
...............................233
Markus Meringer
Chapter
9
Computer-Aided Molecular Design: Inverse Design
...............269
Donald P.
Visco,
Jr.
Chapter
10
Computer-Aided Molecular Design:
De Novo
Design
.............295
Diana
С
Roe
vi
Contents
Chapter
11
Reaction Network Generation
.......................................317
Jean-Loup
Faulon and Pablo Carbonell
Chapter
12
Open Source Chemoinformatics Software and Database
Technologies
..........................................................343
Rajarshi Guha
Chapter
13
Sequence Alignment Algorithms: Applications to Glycans
and Trees and Tree-Like Structures
.................................363
Tatsuya Akutsu
Chapter
14
Machine Learning-Based Bioinformatics Algorithms:
Application to Chemicals
............................................383
Shawn Martin
Chapter
15
Using Systems Biology Techniques to Determine Metabolic
Fluxes and Metabolite Pool Sizes
...................................399
Fangping
Ми,
Amy L. Bauer, James R. Faeder,
and William S.
Hlavaček
Index
...................................................................423
|
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| dewey-search | 542/.85 |
| dewey-sort | 3542 285 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie Informatik |
| format | Book |
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| illustrated | Illustrated |
| indexdate | 2024-07-09T22:46:51Z |
| institution | BVB |
| isbn | 9781420082920 |
| language | English |
| lccn | 2010005452 |
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| series2 | Chapman & Hall/CRC mathematical and computational biology series |
| spelling | Handbook of chemoinformatics algorithms ed. by Jean-Loup Faulon ... Boca Raton [u.a.] Chapman & Hall/CRC 2010 XII, 440 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Chapman & Hall/CRC mathematical and computational biology series Includes bibliographical references and index Cheminformatics Handbooks, manuals, etc Algorithms Graph theory Datenverarbeitung (DE-588)4011152-0 gnd rswk-swf Chemie (DE-588)4009816-3 gnd rswk-swf Computational chemistry (DE-588)4290091-8 gnd rswk-swf Algorithmus (DE-588)4001183-5 gnd rswk-swf Computational chemistry (DE-588)4290091-8 s Algorithmus (DE-588)4001183-5 s DE-604 Chemie (DE-588)4009816-3 s Datenverarbeitung (DE-588)4011152-0 s Faulon, Jean-Loup edt Digitalisierung UB Bayreuth application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020650979&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Handbook of chemoinformatics algorithms Cheminformatics Handbooks, manuals, etc Algorithms Graph theory Datenverarbeitung (DE-588)4011152-0 gnd Chemie (DE-588)4009816-3 gnd Computational chemistry (DE-588)4290091-8 gnd Algorithmus (DE-588)4001183-5 gnd |
| subject_GND | (DE-588)4011152-0 (DE-588)4009816-3 (DE-588)4290091-8 (DE-588)4001183-5 |
| title | Handbook of chemoinformatics algorithms |
| title_auth | Handbook of chemoinformatics algorithms |
| title_exact_search | Handbook of chemoinformatics algorithms |
| title_full | Handbook of chemoinformatics algorithms ed. by Jean-Loup Faulon ... |
| title_fullStr | Handbook of chemoinformatics algorithms ed. by Jean-Loup Faulon ... |
| title_full_unstemmed | Handbook of chemoinformatics algorithms ed. by Jean-Loup Faulon ... |
| title_short | Handbook of chemoinformatics algorithms |
| title_sort | handbook of chemoinformatics algorithms |
| topic | Cheminformatics Handbooks, manuals, etc Algorithms Graph theory Datenverarbeitung (DE-588)4011152-0 gnd Chemie (DE-588)4009816-3 gnd Computational chemistry (DE-588)4290091-8 gnd Algorithmus (DE-588)4001183-5 gnd |
| topic_facet | Cheminformatics Handbooks, manuals, etc Algorithms Graph theory Datenverarbeitung Chemie Computational chemistry Algorithmus |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020650979&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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