Topological Indices of Some Antiviral Agents Against African Swine Fever Virus
John Rafael M. Antalan1, Gil Felicisimo Cabrera2, Priscilla S. Macansantos3, Delia Rose A. Miana1,3 and Richard P. Tagle1

1Department of Mathematics and Physics, College of Science, Central Luzon State University (3120), Science City of Munoz, Nueva Ecija, Philippines
2Department of Chemistry, College of Science, Central Luzon State University (3120), Science City of Munoz, Nueva Ecija, Philippines
3Department of Mathematics and Computer Science, College of Science, University of the Philippines Baguio (2600), Governor Pack Road, Baguio City, Philippines

Abstract

Chemical graph theory is a branch of mathematics that combines chemistry and graph theory. It has made a significant contribution in understanding the properties of chemical compounds in chemical science which has an application in isomer enumeration. The process of computing the topological indices is one of the areas of chemical graph theory that is used actively. For instance topological indices were used in QSPR analysis of Antituberculosis drugs.

Recently, African Swine Fever (ASF) infected various swine in Rizal province, Philippines which leads to the scarcity of pork, and increase of prices on pork, chicken, and beef. In this article, we compute several topological indices of some Antiviral Agents Used Against African Swine Fever which are genistein, genkwanin, perylene-3-ylethynyl)-arabino-uridine or aUY11, 5-(perylene-3-ylethynyl) uracil-1-acetic acid or cm1UY11, and rifampicin. In particular, we compute for some of their vertex-degree-based, distance-based, and Mostar type indices. The vertex-degree-based topological indices that we will consider are Hyper Zagreb, Maxmin rodeg index, Albertson index, Sigma index, Inverse symmetric deg index, the variance of the vertex degrees, the product connectivity Banhatti index, and Atom bond connectivity index. On the other hand, the distance-based topological indices are Wiener index and Schultz index. Lastly, the Mostar-type indices are the Mostar index and the Szeged index. The outcomes of the study could be used to predict physicochemical properties of these antiviral agents used against African Swine Fever Virus such as boiling point, polarizability, and surface tension.

Keywords: molecular graphs, topological index, vertex-degree based, distance-based, Mostar index

Topic: COMPUTATIONAL SCIENCES