Topological index is a numerical value associated with a chemical constitution for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. In this work, some new indices based on neighborhood degree sum of nodes are proposed. To make the computation of the novel indices convenient, an algorithm is designed. Quantitative structure property relationship (QSPR) study is a good statistical method for investigating drug activity or binding mode for different receptors. QSPR analysis of the newly introduced indices is studied here which reveals their predicting power. A comparative study of the novel indices with some well-known and mostly used indices in structure-property modelling and isomer discrimination is performed. Some mathematical properties of these indices are also discussed here.

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QSPR analysis of some novel neighbourhood degree-based topological descriptors

Topological index is a numerical value associated with chemical constitution for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. In this work, some new indices based on neighbourhood degree sum of nodes are proposed. To make the computation of the novel indices convenient, an algorithm is designed. QSPR analysis of these newly introduced indices are studied here which reveals their predicting power. Some mathematical properties of these indices are also discussed here.

Sharada Gavade

Papers

QSPR Analysis of Certain Degree Based Topological Indices