Unveiling novel eccentric neighborhood forgotten indices for graphs and gaph operations: A comprehensive exploration of boiling point prediction

Abstract

<abstract><p>This paper marks a significant advancement in the field of chemoinformatics with the introduction of two novel topological indices: the forgotten eccentric neighborhood index (FENI) and the modified forgotten eccentric neighborhood index (MFENI). Uniquely developed for predicting the boiling points of various chemical substances, these indices offer groundbreaking tools in understanding and interpreting the thermal properties of compounds. The distinctiveness of our study lies in the in-depth exploration of the discriminative capabilities of FENI and MFENI. Unlike existing indices, they provide a nuanced capture of structural features essential for determining boiling points, a key factor in drug design and chemical analysis. Our comprehensive analyses demonstrate the superior predictive power of FENI and MFENI, highlighting their exceptional potential as innovative tools in the realms of chemoinformatics and pharmaceutical research. Furthermore, this study conducts an extensive investigation into their various properties. We present explicit results on the behavior of these indices in relation to diverse graph types and operations, including join, disjunction, composition and symmetric difference. These findings not only deepen our understanding of FENI and MFENI but also establish their practical versatility across a spectrum of chemical and pharmaceutical applications. Thus the introduction of FENI and MFENI represents a pivotal step forward in the predictive analysis of boiling points, setting a new standard in the field and opening avenues for future research advancements.</p></abstract>