Predicting Corrosion Inhibition Effectiveness by Molecular Descriptors of Weighted Chemical Graphs

On Sombor Indices of Tricyclic Graphs

“…Since δn = 2m − n ∆ , we have n ∆ = 2m − n⌊2m/n⌋. Now, the value of n δ is deduced from the first equation of the system (15).…”

“…A topological index is a numerical quantity T I that is calculated/derived from a (chemical) graph such that T I remains the same under graph isomorphism. Many topological indices being studied in chemical graph theory have several chemical applications, for example see the recent articles [13,15].…”

General Trinajstić Index

“…), which attract the interest of scientists in studying their properties such as resonance energies, topological or circuit resonance energies, currents and aromaticity. [15] Moreover, different variants of the general Trinajstić index can be applied to simplified skeletons (hydrogen-suppressed graphs) of other heteroatomic compounds in which heteroatoms (which are not carbon) are weighted differently [16] or they can be treated as a carbon atom, which is common in quantitative structure-activity-property models. [17] Therefore, the general Trinajstić index could be used in modelling in chemistry as well as other topological indices.…”

“…[17] Therefore, the general Trinajstić index could be used in modelling in chemistry as well as other topological indices. [16,17]…”

Partition of topological indices of benzenoid hydrocarbons into ring contributions

“…The use of these indices in chemistry‐related research has proven to be quite beneficial [12, 13]. Namely, one of the most common employment of topological indices is in the prediction of physicochemical properties and activities of compounds [14–16]. For example, in the paper [16] the authors have applied several weighted topological indices to model the corrosion inhibition effectiveness of various compounds.…”