From Chemical Topology to Three-Dimensional Geometry:

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 t...

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Bibliographic Details
Other Authors: Balaban, Alexandru T. (Editor)
Format: Electronic eBook
Language:English
Published: Boston, MA Springer US 2002
Series:Topics in Applied Chemistry
Subjects:
Online Access:UBT01
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Summary: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
Physical Description:1 Online-Ressource (XVIII, 420 p)
ISBN:9780306469077
DOI:10.1007/b114209

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