From Chemical Topology to ThreeDimensional Geometry

Alexandru T. Balaban (Editor), Polytechnic Univ., Bucharest, Romania
PLENUM PRESS
ISBN: 0306454629, 420 pages, 1997
Description
Even highspeed supercomputers cannot easily convert traditional twodimensional databases from chemical topology into the threedimensional 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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