Novel Distance-Based Molecular Descriptors for Styrene Butadiene Rubber Structures

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.

Predictive modeling and regression analysis of diverse sulfonamide compounds employed in cancer therapy

“…These indices utilize mathematical algorithms based on the structural information encoded in the molecular graphs, offering quantitative insights into the compounds’ topological features and connectivity patterns. Some interesting results on topological indices are characterized in ( Natarajan et al, 2022 ; Zaman and He, 2022 ; Ullah et al, 2023a ; Ullah et al, 2023b ; Yan et al, 2023 ; Zaman et al, 2023 ; Arockiaraj et al, 2024a ; Hayat et al, 2024a ; Arockiaraj et al, 2024b ; Hayat et al, 2024b ; Arockiaraj et al, 2024c ; Chidambaram et al, 2024 ). This numerical representation facilitates the characterization and comparison of different molecular structures, contributing to the understanding of their properties and potential activities, including anti-cancer effects.…”