
Proceedings Paper
Using Tutte polynomials to analyze the structure of the benzodiazepinesFormat | Member Price | Non-Member Price |
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Paper Abstract
Graph theory in general and Tutte polynomials in particular, are implemented for analyzing the chemical structure of the
benzodiazepines. Similarity analysis are used with the Tutte polynomials for finding other molecules that are similar to
the benzodiazepines and therefore that might show similar psycho-active actions for medical purpose, in order to evade
the drawbacks associated to the benzodiazepines based medicine. For each type of benzodiazepines, Tutte polynomials
are computed and some numeric characteristics are obtained, such as the number of spanning trees and the number of
spanning forests. Computations are done using the computer algebra Maple’s GraphTheory package. The obtained
analytical results are of great importance in pharmaceutical engineering. As a future research line, the usage of the
chemistry computational program named Spartan, will be used to extent and compare it with the obtained results from
the Tutte polynomials of benzodiazepines.
Paper Details
Date Published: 22 May 2014
PDF: 17 pages
Proc. SPIE 9118, Independent Component Analyses, Compressive Sampling, Wavelets, Neural Net, Biosystems, and Nanoengineering XII, 911815 (22 May 2014); doi: 10.1117/12.2049767
Published in SPIE Proceedings Vol. 9118:
Independent Component Analyses, Compressive Sampling, Wavelets, Neural Net, Biosystems, and Nanoengineering XII
Harold H. Szu; Liyi Dai, Editor(s)
PDF: 17 pages
Proc. SPIE 9118, Independent Component Analyses, Compressive Sampling, Wavelets, Neural Net, Biosystems, and Nanoengineering XII, 911815 (22 May 2014); doi: 10.1117/12.2049767
Show Author Affiliations
Juan José Cadavid Muñoz, Univ. EAFIT (Colombia)
Published in SPIE Proceedings Vol. 9118:
Independent Component Analyses, Compressive Sampling, Wavelets, Neural Net, Biosystems, and Nanoengineering XII
Harold H. Szu; Liyi Dai, Editor(s)
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