On Characterizations of Molecular Descriptors and Entropies for Oxytocin and Cholic Acid Chemical Networks
DOI:
https://doi.org/10.11113/mjfas.v21n5.4423Keywords:
Chemical Networking; Oxytocin; Cholic acid; M-polynomials; Molecular descriptors; EntropiesAbstract
Molecular descriptors are numerical depictions of molecular structures that convey different structural or physicochemical attributes. To link molecular structures with their biological activities or other qualities of interest, they are commonly utilized in cheminformatics, computational chemistry, and QSAR (Quantitative Structure-Activity Relationship) investigations. Regarding entropies for chemical networks, it appears that you are talking to entropy in the context of chemical reactions or chemical systems. Entropy is a thermodynamic term that refers to the disorder or unpredictability of a system. Entropy changes in chemical systems can occur during chemical reactions, phase transitions, or mixing. In this article, we choose two families of chemical networks, namely Oxytocin ( ) and Cholic Acid ( . The bound partitions of these proposed networks concerning the valency of each atom are investigated, and then, by using the partition, we have computed the M-Polynomials. By means of M-polynomials, various molecular descriptors and entropies are established for proposed chemical structures. Furthermore, a numerical comparison among the investigated molecular descriptors and entropies for the Oxytocin and Cholic Acid chemical structures is observed.
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Copyright (c) 2025 Muhammad Shoaib, Ghulam Mustafa, Shahbaz Ali
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