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Comparative analysis of symmetric division deg index as potentially useful molecular descriptor
Author(s) -
Furtula Boris,
Ch. Das Kinkar,
Gutman Ivan
Publication year - 2018
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.25659
Subject(s) - quantitative structure–activity relationship , vertex (graph theory) , division (mathematics) , computer science , biological system , computational biology , chemistry , mathematics , stereochemistry , graph , biology , theoretical computer science , arithmetic
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.