Theoretical chemistry has been dominated by quantum chemistry to such an extent that the potential of discrete mathematics has focused on combinatorial and topological properties of discrete objects. This book summarizes results related to chemical structures that go beyond molecular stability and energetics, addressing such topics as molecular similarity, QSAR, QSPR characterization of DNA and proteins, as well as DNA and protein alignment. Broad in scope, including bioinformatics topics and proteomics maps, it presents an outline of molecular descriptors that considers aromaticity of benzenoid and non-benzenoid compounds, properties of conjugated polymers, and stabilities of fullerenes.
Reihe
Sprache
Verlagsort
Verlagsgruppe
Zielgruppe
Für höhere Schule und Studium
Produkt-Hinweis
Illustrationen
50 s/w Abbildungen
50 Illustrations, black and white
Maße
Höhe: 234 mm
Breite: 156 mm
ISBN-13
978-1-4398-0662-3 (9781439806623)
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Schweitzer Klassifikation
Milan Randic is a Professor Emeritus at the Department of Mathematics and Computer Science, Drake University, in Des Moines, Iowa.
Autor*in
Drake University, Des Moines, IA
Introduction. Molecules: World of Diversity. Structure - Property Relationship. Molecular Descriptors. Discrete Mathematics in Chemistry. Chemical Enumerations. Library of Molecular Descriptors. Multivariate Regression Equation. Variable Molecular Descriptors. Molecular Similarity. SAR and QSAR. Pharmacophore. Novel Uses of Molecular Descriptors. Bioinformatics. DNA. RNA. Proteins. Alignment. Proteome.
