Computing SS Index of Certain Dendrimers

• Published in: Journal of mathematics (Hidawi) Vol. 2021; pp. 1 - 14
• Main Authors: Zhao, Weidong, Shanmukha, M.C., Usha, A., Farahani, Mohammad Reza, Shilpa, K.C.
• Format: Journal Article
• Language: English
• Published: Cairo Hindawi 2021; Hindawi Limited
• Subjects: Alkanes; Biological properties; Boiling points; Chemical compounds; Correlation coefficients; Critical pressure; Dendrimers; Drugs; Graph theory; Heat of vaporization; Isomers; Mathematics; Medical research; Molar volume; Topology
• ISSN: 2314-4629; 2314-4785
• DOI: 10.1155/2021/7483508

The numerical descriptor gathers the data from the molecular graphs and helps to know the characteristics of the chemical structure known as topological index. The QSAR/QSPR/QSTR studies are benefited with the significant role played by topological indices in the drug design. Topological indices provide the information about the physical/chemical/biological properties of chemical compounds. The Zagreb indices are widely studied because of their extensive usage in chemical graph theory. Inspired by the earlier work on inverse sum indeg index (ISI index), novel topological index known as SS index is introduced and computed for four dendrimer structures. Also, the strong correlation coefficient between SS index and 5 physico-chemical characteristics such as boiling point (bp), molar volume (mv), molar refraction (mr), heats of vaporization (hv), and critical pressure (cp) of 67 alkane isomers have been determined. It is found that newly introduced index has shown good correlation in comparison with three most popular existing indices (ISI index and first and second Zagreb indices). In the last part, the mathematical properties of SS index are discussed.