Comparative analysis of symmetric division deg index as potentially useful molecular descriptor

Boris Furtula; Kinkar Ch. Das; Ivan Gutman

doi:10.1002/qua.25659

Comparative analysis of symmetric division deg index as potentially useful molecular descriptor

Boris Furtula
, Kinkar Ch. Das
, Ivan Gutman

Department of Mathematics

University of Kragujevac

Research output: Contribution to journal › Article › peer-review

70 Scopus citations

Abstract

There are several dozens of vertex–degree–based (VDB) molecular structure descriptors currently studied and proposed to be used in quantitative structure-property/activity relationships (QSPR/QSAR) researches. Among them, just a couple are recognized as promising and worth of practical applications. One of the newest is the symmetric division deg index (SDD). This article is devoted to a thorough multifaceted analysis of SDD and its comparison with other VDB topological indices. We show that the applicative potential of SDD is comparable to already well-established VDB structure descriptors. Additionally, some of conducted tests indicate its supremacy over other VDB molecular indices.

Original language	English
Article number	e25659
Journal	International Journal of Quantum Chemistry
Volume	118
Issue number	17
DOIs	https://doi.org/10.1002/qua.25659
State	Published - 5 Sep 2018

Keywords

atom–bond connectivity index
geometric–arithmetic index
quality of molecular descriptors
symmetric division deg index
vertex–degree–based indices

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10.1002/qua.25659

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title = "Comparative analysis of symmetric division deg index as potentially useful molecular descriptor",

abstract = "There are several dozens of vertex–degree–based (VDB) molecular structure descriptors currently studied and proposed to be used in quantitative structure-property/activity relationships (QSPR/QSAR) researches. Among them, just a couple are recognized as promising and worth of practical applications. One of the newest is the symmetric division deg index (SDD). This article is devoted to a thorough multifaceted analysis of SDD and its comparison with other VDB topological indices. We show that the applicative potential of SDD is comparable to already well-established VDB structure descriptors. Additionally, some of conducted tests indicate its supremacy over other VDB molecular indices.",

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AB - There are several dozens of vertex–degree–based (VDB) molecular structure descriptors currently studied and proposed to be used in quantitative structure-property/activity relationships (QSPR/QSAR) researches. Among them, just a couple are recognized as promising and worth of practical applications. One of the newest is the symmetric division deg index (SDD). This article is devoted to a thorough multifaceted analysis of SDD and its comparison with other VDB topological indices. We show that the applicative potential of SDD is comparable to already well-established VDB structure descriptors. Additionally, some of conducted tests indicate its supremacy over other VDB molecular indices.

KW - atom–bond connectivity index

KW - geometric–arithmetic index

KW - quality of molecular descriptors

KW - symmetric division deg index

KW - vertex–degree–based indices

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VL - 118

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

IS - 17

M1 - e25659

ER -

Comparative analysis of symmetric division deg index as potentially useful molecular descriptor

Abstract

Keywords

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