najoNanosystems: Physics, Chemistry, MathematicsНаносистемы: физика, химия, математика2220-80542305-7971Университет ИТМО10.17586/2220-8054-2021-12-2-142-150najo-351Research ArticleMATHEMATICSМАТЕМАТИКАChemical applicability of Gourava and hyper-Gourava indicesХимическая применимость индексов Гуравы и гипер-ГуравыBasavanagoudB.BasavanagoudB.

Department of Mathematics

Dharwad – 580 003, Karnataka

Department of Mathematics

Dharwad – 580 003, Karnataka

b.basavanagoud@gmail.comPolicepatilShrutiPolicepatilShruti

Department of Mathematics

Dharwad – 580 003, Karnataka

Department of Mathematics

Dharwad – 580 003, Karnataka

shrutipatil300@gmail.comKarnatak UniversityKarnatak University202128072025122142151Copyright © Basavanagoud B., Policepatil S., 20252025Basavanagoud B., Policepatil S.Basavanagoud B., Policepatil S.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://nanojournal.ifmo.ru/jour/article/view/351

Topological indices are extensively used as molecular descriptors in building Quantitative Structure-Activity Relationship (QSAR), Quantitative Structure-Property Relationship (QSPR) and Quantitative Structure-Toxicity Relationship (QSTR). In this paper, Gourava and hyper-Gourava in­dices are tested with physico-chemical properties of octane isomers such as entropy, acentric factor and DHVAP using linear regression models. The first Gourava index highly correlates with entropy (coefficient of correlation 0.9644924) and the second Gourava index highly correlates with acentric factor (coefficient of correlation 0.962243). Further, Gourava and hyper-Gourava indices are obtained for the line graph of subdivision graph of 2D-lattice, nanotube and nanotorus of TU C4C8 [p, q].

Топологические индексы широко используются в качестве молекулярных дескрипторов при построении количественной зависимости структура-активность (QSAR), количественной зависимости структура-свойство (QSPR) и количественной зависимости структура-токсичность (QSTR). В этой статье индексы Гуравы и гипер-Гуравы тестируются с помощью физико-химических свойств изомеров октана, таких как энтропия, ацентрический фактор и DHVAP, с использованием моделей линейной регрессии. Первый индекс Гуравы сильно коррелирует с энтропией (коэффициент корреляции 0,9644924), а второй индекс Гуравы сильно коррелирует с ацентрическим фактором (коэффициент корреляции 0,962243). Далее индексы Гуравы и гипер-Гуравы получаются для линейного графа, графа подразделений 2D-решетки, нанотрубки и нанотора TU C4C8[р, q].

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The authors declare that there are no conflicts of interest present.