QSPR analysis of some novel neighbourhood degree-based topological descriptors

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