Network-Based Modeling of the Molecular Topology of Fuchsine Acid Dye with Respect to Some Irregular Molecular Descriptors

Fuchsine acid is one of the supramolecular dyes used in Masson's trichrome stain and has enormous applications in histology. It is also used in Van Gieson's method with picric acid to show red collagen fibers and in Masson's trichrome to show smooth muscle in contrast to collagen. In addition to these, it has several other important applications in electronic fields and photonic devices as an organic semiconductor. Therefore, it is of utmost importance to investigate and predict the complex molecular topology of fuchsine acid, which serves as a foundation for the link with its physicochemical properties. In this article, the supramolecular sheet of fuchsine acid is modeled topologically based on the edge partition, and closed formulae are derived for some of its important irregular molecular descriptors, with the ultimate object of throwing some light on the effectiveness of the computed molecular descriptors for QSAR and QSPR analyses.

Automated summary

This article investigates and predicts the complex molecular topology of fuchsine acid and derives closed formulae for important molecular descriptors. The study aims to shed light on the effectiveness of these descriptors for QSAR and QSPR analyses.