2013, ISBN: 9783110300079
[ED: Buch], [PU: De Gruyter], Neuware - More than 20 years of experience in molecular structure generation, from conceptualization through to applications Innovative, interdisciplinary t… Mehr…
booklooker.de |
Mathematical Chemistry and Chemoinformatics: Structure Generation, Elucidation and Quantitative Structure-Property Relationships - gebunden oder broschiert
2013, ISBN: 9783110300079
De Gruyter, Hardcover, 520 Seiten, Publiziert: 2013-12-13T00:00:01Z, Produktgruppe: Book, Hersteller-Nr.: 39858256, 1.01 kg, Verkaufsrang: 4402146, Biochemistry, Biological Sciences, Scie… Mehr…
amazon.co.uk m-books Gebraucht, wie neu. Versandkosten:In stock. Die angegebenen Versandkosten können von den tatsächlichen Kosten abweichen. (EUR 5.59) Details... |
Mathematical Chemistry and Chemoinformatics Structure Generation, Elucidation and Quantitative Structure-Property Relationships - gebunden oder broschiert
2013, ISBN: 3110300079
[EAN: 9783110300079], Gebraucht, guter Zustand, [SC: 0.0], [PU: De Gruyter], MOLECULAR DESCRIPTOR,MATHEMATICAL CHEMISTRY,MOLECULAR STRUCTURE GENERATION,MOLECULAR GRAPH,CHEMOINFORMATICS,MA… Mehr…
ZVAB.com Buchpark, Trebbin, Germany [83435977] [Rating: 5 (von 5)] NOT NEW BOOK. Versandkosten:Versandkostenfrei. (EUR 0.00) Details... |
Mathematical Chemistry and Chemoinformatics Structure Generation, Elucidation and Quantitative Structure-Property Relationships - gebrauchtes Buch
2013, ISBN: 9783110300079
Gepflegter, sauberer Zustand. 24547766/12 Versandkostenfreie Lieferung Molecular, Descriptor, Mathematical, Chemistry, Structure, Generation, Graph, Chemoinformatics, Mass, Spectra, Class… Mehr…
buchfreund.de |
Mathematical Chemistry and Chemoinformatics Structure Generation, Elucidation and Quantitative Structure-Property Relationships - gebrauchtes Buch
2013, ISBN: 9783110300079
[PU: De Gruyter], Gepflegter, sauberer Zustand. 24547766/12, DE, [SC: 0.00], gebraucht; sehr gut, gewerbliches Angebot, Banküberweisung, Kreditkarte, PayPal, Klarna-Sofortüberweisung, Int… Mehr…
booklooker.de |
2013, ISBN: 9783110300079
[ED: Buch], [PU: De Gruyter], Neuware - More than 20 years of experience in molecular structure generation, from conceptualization through to applications Innovative, interdisciplinary t… Mehr…
Kerber, Adalbert, Laue, Reinhard, Meringer, Markus, Rücker, Christoph, Schymanski, Emma:
Mathematical Chemistry and Chemoinformatics: Structure Generation, Elucidation and Quantitative Structure-Property Relationships - gebunden oder broschiert2013, ISBN: 9783110300079
De Gruyter, Hardcover, 520 Seiten, Publiziert: 2013-12-13T00:00:01Z, Produktgruppe: Book, Hersteller-Nr.: 39858256, 1.01 kg, Verkaufsrang: 4402146, Biochemistry, Biological Sciences, Scie… Mehr…
Mathematical Chemistry and Chemoinformatics Structure Generation, Elucidation and Quantitative Structure-Property Relationships - gebunden oder broschiert
2013
ISBN: 3110300079
[EAN: 9783110300079], Gebraucht, guter Zustand, [SC: 0.0], [PU: De Gruyter], MOLECULAR DESCRIPTOR,MATHEMATICAL CHEMISTRY,MOLECULAR STRUCTURE GENERATION,MOLECULAR GRAPH,CHEMOINFORMATICS,MA… Mehr…
Mathematical Chemistry and Chemoinformatics Structure Generation, Elucidation and Quantitative Structure-Property Relationships - gebrauchtes Buch
2013, ISBN: 9783110300079
Gepflegter, sauberer Zustand. 24547766/12 Versandkostenfreie Lieferung Molecular, Descriptor, Mathematical, Chemistry, Structure, Generation, Graph, Chemoinformatics, Mass, Spectra, Class… Mehr…
Mathematical Chemistry and Chemoinformatics Structure Generation, Elucidation and Quantitative Structure-Property Relationships - gebrauchtes Buch
2013, ISBN: 9783110300079
[PU: De Gruyter], Gepflegter, sauberer Zustand. 24547766/12, DE, [SC: 0.00], gebraucht; sehr gut, gewerbliches Angebot, Banküberweisung, Kreditkarte, PayPal, Klarna-Sofortüberweisung, Int… Mehr…
Bibliographische Daten des bestpassenden Buches
Autor: | |
Titel: | |
ISBN-Nummer: |
Detailangaben zum Buch - Mathematical Chemistry and Chemoinformatics: Structure Generation, Elucidation and Quantitative Structure-Property Relationships
EAN (ISBN-13): 9783110300079
ISBN (ISBN-10): 3110300079
Gebundene Ausgabe
Erscheinungsjahr: 2013
Herausgeber: De Gruyter
Buch in der Datenbank seit 2014-01-23T23:17:49+01:00 (Zurich)
Detailseite zuletzt geändert am 2024-01-20T09:32:23+01:00 (Zurich)
ISBN/EAN: 9783110300079
ISBN - alternative Schreibweisen:
3-11-030007-9, 978-3-11-030007-9
Alternative Schreibweisen und verwandte Suchbegriffe:
Autor des Buches: christoph lau, rucker, rück, meri, sabeaen, schymanski christoph adalbert meringer reinhard kerber markus rücker emma laue, mering, kerb
Titel des Buches: mathematical structure, property, chemoinformatics mathematical chemistry, kerber
Daten vom Verlag:
Autor/in: Adalbert Kerber; Reinhard Laue; Markus Meringer; Christoph Rücker; Emma Schymanski
Titel: Mathematical Chemistry and Chemoinformatics - Structure Generation, Elucidation and Quantitative Structure-Property Relationships
Verlag: De Gruyter
491 Seiten
Erscheinungsjahr: 2013-12-13
Berlin/Boston
Gedruckt / Hergestellt in Deutschland.
Gewicht: 1,013 kg
Sprache: Englisch
179,95 € (DE)
179,95 € (AT)
Available
124 b/w ill., 70 b/w tbl.
BB; Hardcover, Softcover / Chemie/Theoretische Chemie; Angewandte Mathematik; Verstehen; MAT003000 MATHEMATICS / Applied; MAT008000 MATHEMATICS / Discrete Mathematics; MAT036000 MATHEMATICS / Combinatorics; SCI013010 SCIENCE / Chemistry / Analytic; TEC009010 Technology & Engineering / Chemical & Biochemical; Discrete mathematics; Combinatorics & graph theory; Applied mathematics; Analytical chemistry; Quantum & theoretical chemistry; Chemical engineering; Chemie; Mathematical Chemistry; Chemoinformatics; Molecular Structure Generation; Mass Spectrometry; Mathematical Chemistry; Chemoinformatics; Molecular Structure Generation; Mass Spectrometry; Molecular Graph; Combinatorial Chemistry; Molecular Descriptor; Quantitative Structure-Property Relationship; Molecular Structure Elucidation; Mass Spectra Classification; Quanten- und theoretische Chemie; DV-gestützte Biologie/Bioinformatik; EA
Chapter 1: Molecules in silico1.1 Graphs, labeled and unlabeled 1.2 Molecular graphs, constitutional isomers 1.3 SummaryChapter 2: Substructures, reactions, descriptors2.1 Substructures 2.2 Molecular substructures 2.3 Chemical reactions 2.4 Mesomerism 2.5 Existing chemical compounds 2.6 Molecular descriptors 2.7 SummaryChapter 3: Chirality3.1 Orientation and chirality 3.2 Permutational isomers 3.3 Permutational isomers by content, in particular by racemic content 3.4 Enumeration by symmetry 3.5 Constructive aspects 3.6 SummaryChapter 4: Stereoisomers4.1 Stereoisomers 4.2 Radon partitions 4.3 Binary Grassmann-Plücker relations 4.4 An example, cyclohexane 4.5 SummaryChapter 5: Molecular structure generation5.1 Formula based molecular generation 5.2 Reaction based structure generation 5.3 Examples: Combinatorial libraries 5.4 Generic structural formulas 5.5 Example: Patents in chemistry 5.6 Canonizing molecules and graphs 5.7 Data structure for molecular graphs 5.8 SummaryChapter 6: Supervised statistical learning6.1 Variables and predicting functions 6.2 Models for predicting functions 6.3 SummaryChapter 7: Structure-property relationships7.1 Optimization of experiments in combinatorial chemistry 7.2 The use of molecular descriptors 7.3 Quantitative structure--property relationships 7.4 Example: Boiling points of alkanes 7.5 Example: Physical density of propyl acrylates 7.6 Example: Antibacterial activity of quinolones 7.7 Remarks on the real library 7.8 SummaryChapter 8: Molecular structure elucidation8.1 Spectroscopic methods 8.2 The principle of automated molecular structure elucidation 8.3 Basics of mass spectrometry 8.4 Ranking functions for mass spectra 8.5 Classification of mass spectra 8.6 Automated structure elucidation via MS 8.7 High resolution MS 8.8 Molecular formulas from high-resolution MS and MS/MS 8.9 SummaryChapter 9: Case studies of CASE9.1 Automated structure elucidation with MOLGEN-MS 9.2 Calculated properties to improve CASE 9.3 Examples of CASE at workChapter 10: Appendix10.1 Lists of molecular descriptors 10.2 Substructures for MS classifiers 10.3 Molecular formulas, according to mass and ion type 10.4 Isomers, by formula and mass 10.5 SummaryWeitere, andere Bücher, die diesem Buch sehr ähnlich sein könnten:
Neuestes ähnliches Buch:
9783110254075 Mathematical Chemistry and Chemoinformatics (Adalbert Kerber/ Reinhard Laue/ Markus Meringer/ Christoph Rücker/ Emma Schymanski)
< zum Archiv...