From Chemical Topology to Three-Dimensional Geometry

Released on by Alexandru T. Balaban
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  • From Chemical Topology to Three-Dimensional Geometry Book Detail

  • Author : Alexandru T. Balaban
  • Release Date : 2006-04-11
  • Publisher : Springer Science & Business Media
  • Genre : Science
  • Pages : 436
  • ISBN 13 : 0306469073
  • File Size : 2,2 MB
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From Chemical Topology to Three-Dimensional Geometry by Alexandru T. Balaban PDF Summary

Book 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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Chemical Topology

Chemical Topology

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Topology is becoming increasingly important in chemistry because of its rapidly growing number of applications. Here, its many uses are reviewed and the authors

Three Dimensional QSAR

Three Dimensional QSAR

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As a result of new statistical and mathematical approaches, improved visualization tools, and recognition by international regulatory groups, quantitative struc