From Chemical Topology to Three-Dimensional Geometry

From Chemical Topology to Three-Dimensional Geometry
ISBN-10
0306469073
ISBN-13
9780306469077
Category
Science
Pages
420
Language
English
Published
2006-04-11
Publisher
Springer Science & Business Media
Author
Alexandru T. Balaban

Description

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.

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