Computation of M-Polynomial and Topological Indices of Phenol Formaldehyde

Bonyah³

2022

Self Cite

Monkeypox has recently re-emerged. Since monkeypox has started to be seen in many countries without an epidemic, studies have started on new drugs used to treat this disease. Drug discovery is a challenging process. To alleviate this process, molecular descriptors used to predict the physical, chemical, and biological properties of chemical structures are studied. Molecular descriptors are numerical values of a chemical structure represented by a graph. In this study, M-polynomial and neighborhood M-polynomial molecular descriptors of drugs used and candidates for use in monkeypox are calculated and these descriptors are compared.

“…M G 2 , r, s 􏼁 � rs 2 + 2rs 3 + 3rs 4 + 2r 2 s 2 + 8r 2 s 3 + r 2 s 4 + r 3 s 3 . (11) Proof. From Figure 2, the chemical graph of cidofovir has 18 sizes and 18 orders.…”

Section: □ Theorem 3 If G 2 Is the Chemical Graph Of Cidofovir Thenmentioning

confidence: 99%

“…Since then, many molecular descriptors have been studied to predict the properties of chemical structures without experimentation. Recently, M-polynomials and NM-polynomials have been defned and studied for many chemical structures (see [11][12][13][14][15][16][17][18][19][20][21][22]).…”

Section: Introductionmentioning

confidence: 99%

M‐Polynomial and NM‐Polynomial of Used Drugs against Monkeypox

Havare

Bonyah³

2022

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“…Math concepts are discussed in [5]. e classical degree concepts (see [6][7][8]) have been converted to ve-degree and ev-degree such as Zagreb index, Randić index, modified Zagreb index, inverse degree index, and forgotten index (see [9][10][11]). It was found that they give better prediction results than classical indices [12,13].…”

Section: Introductionmentioning

confidence: 99%

Ve‐Degree, Ev‐Degree, and Degree‐Based Topological Indices of Fenofibrate

Khan

et al. 2022

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The molecular topology of a graph is described by topological indices, which are numerical measures. In theoretical chemistry, topological indices are numerical quantities that are used to represent the molecular topology of networks. These topological indices can be used to calculate several physical and chemical properties of chemical compounds, such as boiling point, entropy, heat generation, and vaporization enthalpy. Graph theory comes in handy when looking at the link between certain topological indices of some derived graphs. In the ongoing research, we determine ve-degree, ev-degree, and degree-based (D-based) topological indices of fenofibrate’s chemical structure. These topological indices are the Zagreb index, general Randić index, modified Zagreb index, and forgotten topological index. These indices are very helpful to study the characterization of the given structure.

“…e goal of establishing a topological index is to assign a numerical value to each chemical structure while keeping it as selective as possible. Structures can be classi ed and chemical and biological properties predicted using these indices [1,2]. None of the known topological indices can uniquely characterize molecular networks due to the loss of information caused by the condensing of molecular topological properties into a single integer.…”

Section: Introductionmentioning

confidence: 99%

Physico‐Chemical Characterization of Amylose and Amylopectin Using Revan Topological Indices

Khan

et al. 2022

Polysaccharides are biomaterial with great biocompatibility, biodegradability, and low toxicity. There are long chains of monosaccharide units linked together by glycosidic bonds. They have a wide spectrum of functional properties and are essential to life’s survival. These are a makeup of storage polysaccharides (such as starch and glycogen). Starch is found in plants; the condensation of amylose and amylopectin produces starch. The main contribution of this paper is to compute Revan topological indices of Amylose and Amylopectin that can study their physicochemical characterization. Furthermore, an analysis was being carried out among topological indices to find out compatibility. These indices will be applicable in various useful research aspects.