QSPR analysis of certain degree and eccentricity based topological indices and butane derivatives

Title

QSPR analysis of certain degree and eccentricity based topological indices and butane derivatives

Creator

Asok A.; Kureethara J.V.

Description

Butane derivatives are chemical compounds formally derived from Butane C4H10 by replacement of one or more hydrogen atoms with other atoms or functional groups. In this paper, we do the QSPR analysis of few Butane derivatives with respect to some selected degree based topological indices and one eccentricity based topological index. In QSPR studies, topological indices are extensively used in determining specific bioactivity of chemical compounds. Our study showcases some important results on the correlation between Heavy atomic count, Complexity, Density, Surface tension and Index of refraction of Butane derivatives with the selected topological indices which further helps in characterizing the predicting power of these topological indices. RAS?YAN. All rights reserved.

Source

Rasayan Journal of Chemistry, Vol-12, No. 2, pp. 464-470.

Date

2019-01-01

Publisher

Rasayan Journal of Chemistry, c/o Dr. Pratima Sharma

Subject

Butane derivatives; Molecular graph; QSPR; Topological index; Zagreb index

Coverage

Asok A., Department of Mathematics, CHRIST (Deemed to be University), Bangalore, 560029, Karnataka, India; Kureethara J.V., Department of Mathematics, CHRIST (Deemed to be University), Bangalore, 560029, Karnataka, India

Rights

All Open Access; Gold Open Access

Relation

ISSN: 9741496

Format

Online

Language

English

Type

Article

Identifier

https://doi.org/10.31788/RJC.2019.1225093

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