Two Vertex Descriptors Based on Hosoya’s Matching Descriptor Z(G)

Authors

Matt Hudelson, Washington State University

Document Type

Presentation Abstract

Presentation Date

11-9-2009

Abstract

In 1971, Harao Hosoya launched the study of graph-theoretical descriptors in chemical applications by demonstrating a high correlation between the number of matchings of an alkane to its boiling point. We continue his legacy by describing two distinct vertex descriptors.

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Together, adaptations of these descriptors form a "local vertex space" such that two vertices with similar local characteristics are mapped to points that are close in this space. As an application of such a space, we can quickly search large databases of chemical compounds for atoms with specific local connectivity environments.

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Additional Details

Monday, 9 November 2009
3:10 p.m. in Math 103
4:00 p.m. Refreshments in Math Lounge 109

Recommended Citation

Hudelson, Matt, "Two Vertex Descriptors Based on Hosoya’s Matching Descriptor Z(G)" (2009). Colloquia of the Department of Mathematical Sciences. 332.
https://scholarworks.umt.edu/mathcolloquia/332