Quantitative Structure Property Relationship Modeling of Certain Novel Anticancer Drugs Using Molecular Descriptors
Year: 2025
Type: article
Abstract: A topological index is a numerical value linked to molecular graphs, capable of predicting the physicochemical and biological properties of various anticancer medications, such as those used for treating blood, breast, and skin cancers. In this paper, intercorrelation between the Balban index B(G), connective eccentric index (CEI), eccentricity connectivity index (ECI), harmonic index (H(G)), hyper Zagreb index HZ(G), first path Zagreb index (FP_1), second path Zagreb index (FP_2), Randic index (R(G)), sum connectivity index (SCI(G)), graph energy (E(G)) and Laplacian energy (LE(G)) is studied on the set of molecular graphs of anticancer drugs. Moreover, we also discuss the QSPR analysis and carry the linear regression modeling for the physicochemical properties of anticancer drugs with 9 degree based and 2 eigenvalue based topological indices.
Authors: Jayaprakash M C, Dhananjayamurthy B V, Nagarathnamma K G, Mohammad Fareeduddin, Amruthalakshmi M R
Language: English
Subfield: Geometry and Topology
Field: Mathematics
Domain: Physical Sciences
Open Access status: gold
OpenAlex ID: W4410389285