From Chemical Topology to Three-Dimensional Geometry

Inbunden, Engelska, 1997

Del i serien Topics in Applied Chemistry

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Beskrivning

Even 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.

Produktinformation

Utgivningsdatum:1997-01-31
Mått:155 x 235 x 29 mm
Vikt:828 g
Format:Inbunden
Språk:Engelska
Serie:Topics in Applied Chemistry
Antal sidor:420
Upplaga:1997
Förlag:Springer Science+Business Media
ISBN:9780306454622

Utforska kategorier

Organisk kemi inom Naturvetenskap och teknik

Recensioner i media

'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)

Innehållsförteckning

From 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.