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Enhancing topological index of calcium chloride network through feature selection methods exploration.

Authors :
Javed, Sana
Ahmad, Shabbir
Sehar, Noor
Khalid, Sadia
Siddiqui, Muhammad Kamran
Gegbe, Brima
Source :
Scientific Reports; 11/12/2024, Vol. 14 Issue 1, p1-16, 16p
Publication Year :
2024

Abstract

With the chemical formula CaCl<subscript>2</subscript>, calcium chloride is a salt as well as an inorganic material. At room temperature, it has the consistency of a white, crystalline solid and is very water-soluble. It can be created by neutralizing calcium hydroxide with hydrochloric acid. Calcium chloride is a solution with a large enthalpy change. It is extensively utilized in research facilities, manufacturing facilities, and pharmaceuticals, including all types of food-graded applications, the treatment of acute illnesses, packaging for drying tubes, dust controllers, and de-icing, among other uses. In this paper, firstly we compute the topological indices, coindices, and reverse indices of CaCl<subscript>2</subscript>. Further, we employ machine learning strategies to capture the best suitable set of indices for the proximity of the prediction of distinct physio-chemical properties of CaCl<subscript>2</subscript>. To strengthen the results, different regression techniques are implemented to predict HOF of CaCl<subscript>2</subscript> based on our features, and the most influential features were detected to verify our results. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20452322
Volume :
14
Issue :
1
Database :
Complementary Index
Journal :
Scientific Reports
Publication Type :
Academic Journal
Accession number :
180848680
Full Text :
https://doi.org/10.1038/s41598-024-79040-8