Mathematical Structural Descriptors of Molecules and Biomolecules: Background and Applications (Englisch)
- Neue Suche nach: C. Basak, Subhash
- Neue Suche nach: C. Basak, Subhash
- Aufsatz/Kapitel (Buch) / Elektronische Ressource
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Titel:Mathematical Structural Descriptors of Molecules and Biomolecules: Background and Applications
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Beteiligte:C. Basak, Subhash ( Autor:in )
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Erschienen in:
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Verlag:
- Neue Suche nach: Bentham Science Publishers Ltd.
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Erscheinungsdatum:2015
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ISBN:
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Medientyp:Aufsatz/Kapitel (Buch)
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Format:Elektronische Ressource
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Sprache:Englisch
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Schlagwörter:principal components regression (PCR) , clustering , biodescriptor , mode of action (MOA) , Hosoya index , prediction of property/bioactivity , graph theoretic matrices , proper cross validation , environmental protection , spectrum like descriptors , predictive toxicology , information theoretic proteomics descriptors , mutagenicity , mathematical proteomics , true q2 , Graph theory , partial least square (PLS) , Balaban index , valence connectivity indices , DNA sequence descriptor. , combinatorial chemistry , tailored similarity , adjacency matrix , leave one out (LOO) method , hierarchical quantitative structure-activity relationship (HiQSAR) , differential QSAR (DiffQSAR) , Wiener index , graph invariant , analog selection , new drug discovery , distance matrix , quantum chemical descriptors , information theoretic indices , weighted pseudograph , connectivity indices , topological indices , molecular graphs , ridge regression (RR) , naïve q2 , 2-D gel electrophoresis , E-state indices , mathematical chemodescriptor , networks , quantitative molecular similarity analysis (QMSA)
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Datenquelle:
Inhaltsverzeichnis E-Book
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
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ContributorsC. Basak, Subhash / Restrepo, Guillermo / L. Villaveces, José et al. | 2015
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AcknowledgementsC. Basak, Subhash / Restrepo, Guillermo / L. Villaveces, José et al. | 2015
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Mathematical Structural Descriptors of Molecules and Biomolecules: Background and ApplicationsC. Basak, Subhash et al. | 2015
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Ordering Thinking in ChemistryRestrepo, Guillermo et al. | 2015
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On the Concept for Overall Topological Representation of Molecular StructureBonchev, Danail et al. | 2015
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The Four Connectivity Matrices, Their Indices, Polynomials and SpectraLučić, Bono / Sović, Ivan / Trinajstić, Nenad et al. | 2015
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The Use of Weighted 2D Fingerprints in Similarity- Based Virtual ScreeningM. Arif, Shereena / D. Holliday, John / Willett, Peter et al. | 2015
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MOLGEN 5.0, A Molecular Structure GeneratorGugisch, Ralf / Kerber, Adalbert / Kohnert, Axel / Laue, Reinhard / Meringer, Markus / Rücker, Christoph / Wassermann, Alfred et al. | 2015
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On Comparability Graphs: Theory and ApplicationsDehmer, Matthias / Sivakumar, Lavanya et al. | 2015
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Basic Concepts and Applications of Molecular Topology to Drug DesignGálvez, Jorge / Gálvez-Llompart, María / García-Domenech, Ramón et al. | 2015
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Conceptual Density Functional Theory of Chemical ReactivityK. Chattaraj, Pratim / R. Roy, Debesh et al. | 2015
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Mathematical (Structural) Descriptors in QSAR: Applications in Drug Design and Environmental ToxicologyVračko, Marjan et al. | 2015
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“Current Landscape of Hierarchical QSAR Modeling and its Applications: Some Comments on the Importance of Mathematical Descriptors as well as Rigorous Statistical Methods of Model Building and Validation”C. Basak, Subhash / Majumdar, Subhabrata et al. | 2015
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Recent Advances in the Assessment of Druglikeness Using 2D-Structural DescriptorsRajesh, Hariharan / Rajagopalan, Lakshminarasimhan / N. Viswanadhan, Vellarkad et al. | 2015
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Role of In Silico Stereoelectronic Properties and Pharmacophores in Aid of Discovery of Novel Antimalarials, Antileishmanials, and Insect RepellentsK. Bhattacharjee, Apurba et al. | 2015
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Molecular TaxonomyHefferlin, Ray et al. | 2015
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Subject IndexC. Basak, Subhash / Restrepo, Guillermo / L. Villaveces, José et al. | 2015