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OverviewEven high-speed supercomputers cannot easily convert traditional two-dimensional databases from chemical topology into the three-dimensional ones demanded by today's chemists, particularly those working in drug design. This fascinating volume resolves this problem by positing mathematical and topological models which greatly expand the capabilities of chemical graph theory. The authors examine QSAR and molecular similarity studies, the relationship between the sequence of amino acids and the less familiar secondary and tertiary protein structures, and new topological methods. Full Product DetailsAuthor: Alexandru T. BalabanPublisher: Springer-Verlag New York Inc. Imprint: Springer-Verlag New York Inc. Edition: Softcover reprint of the original 1st ed. 1997 Dimensions: Width: 15.20cm , Height: 2.30cm , Length: 22.90cm Weight: 0.646kg ISBN: 9781475785777ISBN 10: 1475785771 Pages: 420 Publication Date: 23 March 2013 Audience: Professional and scholarly , Professional & Vocational Format: Paperback Publisher's Status: Active Availability: Manufactured on demand  We will order this item for you from a manufactured on demand supplier. Table of ContentsFrom Chemical Graphs to 3D Molecular Modeling.- Descriptors of Molecular Shape in 3D.- 3D Molecular Design.- Use of Graph-Theoretic and Geometrical Molecular Descriptors in Structure-Activity Relationships.- Recognition of Membrane Protein Structure from Amino Acid Sequence.- On Characterization of 3D Molecular Structure.- Chemical Graph Theory of Fullerenes.- Recent Work on Toroidal and Other Exotic Fullerene Structures.- All-Conjugated Carbon Species.- Applications of Topology and Graph Theory in Understanding Inorganic Molecules.Reviews'An excellent view of the current status of the use of mathematical methods to study the three-dimensional aspects of chemical structure and properties. The combination of fundamental and applied research...make it especially valuable.' Journal of the American Chemical Society, 119(47), 1997 'The QSAR chapters are a valuable reference for pharmaceutical and medicinal chemists; the protein prediction method is important reading for structural biochemists; the Fullerene and hydrocarbon chapters are fascinating for computational chemists...The writing is clear and revealing, supplemented by good illustrations. It is well worth reading.' Journal of Medicinal Chemistry, 1998, 41(11) Author InformationTab Content 6Author Website:Countries AvailableAll regions |
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