Novel Distance-Based Molecular Descriptors for Styrene Butadiene Rubber Structures

Natarajan Chidambaram; Muhammad Kamran; Deepa Balasubramanian; Shahzaib Hameed; Saba Mehmood; Wasim Raza; Aamir Hussain Khan; Zainab Iqbal

doi:10.31764/jtam.v8i2.20037

Novel Distance-Based Molecular Descriptors for Styrene Butadiene Rubber Structures

Natarajan Chidambaram, Muhammad Kamran, Deepa Balasubramanian, Shahzaib Hameed, Saba Mehmood, Wasim Raza, Aamir Hussain Khan, Zainab Iqbal

Abstract

Styrene-butadiene rubber (SBR) is a general-purpose rubber produced from a copolymer of styrene and butadiene. It is used largely in automobile and truck tires. In general, it is considered to be an abrasion-resistant replacement for natural rubber. In this article, we compute a set of recently introduced distance-based topological descriptors namely, Zagreb connection indices and reformulated Zagreb connection indices for the SBR structures. Zagreb indices and Reformulated Zagreb indices were applied to forecast numerous molecular properties through QSAR studies of boiling point, Molar volume and bioactivity. These indices offer a quick and effective measure of molecular complexity and features of their composition resulting in approximate molecular behavior.

Keywords

Zagreb connection indices; Reformulated Zagreb connection indices; SBR structures;

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DOI: https://doi.org/10.31764/jtam.v8i2.20037