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From Chemical Topology to Three-Dimensional Geometry

From Chemical Topology to Three-Dimensional Geometry

Paperback

Series: Topics in Applied Chemistry

Medical ReferenceChemistry

ISBN10: 1475785771
ISBN13: 9781475785777
Publisher: Springer Nature
Published: Mar 23 2013
Pages: 420
Weight: 1.30
Height: 0.90 Width: 6.00 Depth: 9.00
Language: English
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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