For the structure–property modeling of thermodynamic properties of polycyclic aromatic
hydrocarbons (PAHs), this paper explores the effectiveness of a specific class of graphical …

Cancer is a deadly disease. There is no drug yet for the treatment of some types of cancer.
New drug trials are being conducted to treat this disease. One of them is HDAC‐based multi …

This paper considers all the commonly occurring distance-related graphical indices and
investigates their potential to predict thermodynamic properties of benzenoid hydrocarbons …

From last two to three decades, the world is facing the threat of finding treatment for Cancer.
This disease is striking almost ten million people every year throughout the world …

Several chemical and medical experimentation reveals a dependence of physicochemical
and biological properties of a compound on its molecular structure. Molecular/topological …

Schizophrenia is a chronic psychotic disorder characterized primarily by cognitive deficits.
Drugs and therapies are helpful in managing the symptoms, mostly with long-term …

In this paper, we investigate the prediction power of all the well-known distance-based
molecular structure descriptors in the literature for 22 lower polycyclic aromatic …

This survey lists all papers on graph energies, known to the authors, published in 2019, and
summarizes their main collective characteristics. In addition to new mathematical results, in …

In this article, the efficiency of all the well-known valency-based molecular descriptors has
been measured using certain comparative testing. Importantly, we use a computational …

A topological index is a real number obtained from the chemical graph structure. It is helpful
to calculate the physicochemical and biological properties of numerous drugs. This is done …