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A generalized graph-theoretical matrix of heterosystems and its application to the VMV procedure

Paper ID Volume ID Publish Year Pages File Format Full-Text
15191 1389 2011 6 PDF Available
Title
A generalized graph-theoretical matrix of heterosystems and its application to the VMV procedure
Abstract

The extensions of generalized (molecular) graph-theoretical matrix and vector–matrix–vector procedure are considered. The elements of the generalized matrix are redefined in order to describe molecules containing heteroatoms and multiple bonds. The adjacency, distance, detour and reciprocal distance matrices of heterosystems, and corresponding vectors are derived from newly defined generalized graph matrix. The topological indices, which are most widely used in predicting physicochemical and biological properties/activities of various compounds, can be calculated from the new generalized vector–matrix–vector invariant.

Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slideHighlights► The generalized (molecular) graph-theoretical matrix of heterosystems is defined. ► The VMV procedure is generalized to heterosystems. ► The VMV procedure is extended to new relations.

Keywords
Chemical graph theory; Heterosystems; Generalized graph matrix; VMV procedure; Topological indices
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A generalized graph-theoretical matrix of heterosystems and its application to the VMV procedure
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Publisher
Database: Elsevier - ScienceDirect
Journal: Computational Biology and Chemistry - Volume 35, Issue 6, 14 December 2011, Pages 347–352
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
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