Bicubic regression analysis a novel approach for estimation of physicochemical properties of skin cancer drugs through degree based entropy

Skin cancer poses a significant risk to the healthcare system worldwide and is projected to increase substantially over the next two decades, particularly if not detected in its early stages. The primary aim of this study is to construct a quantitative structure-property relationship (QSPR) by correlating calculated entropies with topological indices and specific physical-chemical properties of pharmaceuticals, in order to enhance their usefulness. The bicubic regression model is constructed through degree-based topological entropies to perform the QSPR analysis for the prediction of physiochemical properties like polar surface area, complexity, molar refractivity, boiling point, and polarity of skin cancer drugs. It is also examined that degree-based entropies provide best-fit models for skin cancer physiochemical properties. We inspected five physio-chemical properties of these anticancer drugs and found this methodology suitable for predicting best-fit approximations regarding <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msup><mml:mrow><mml:mi>R</mml:mi></mml:mrow> <mml:mrow><mml:mn>2</mml:mn></mml:mrow> </mml:msup> </mml:math> value. It is expected that this approach will be very favourable to examining problems related to mathematical chemistry.

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Publication Details

Journal
Heliyon
Published
2024-10-01
DOI
https://doi.org/10.1016/j.heliyon.2024.e39084
Citations
4
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
1.45

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article

Bicubic regression analysis a novel approach for estimation of physicochemical properties of skin cancer drugs through degree based entropy

Abdul Rauf Khan, Khalil Hadi Hakami, Iqra Zia
4 citations
Heliyon
Computational Drug Discovery Methods
1.45
article

Bicubic regression analysis a novel approach for estimation of physicochemical properties of skin cancer drugs through degree based entropy

Abdul Rauf Khan, Khalil Hadi Hakami, Iqra Zia
article en
4 citations

Abstract

Skin cancer poses a significant risk to the healthcare system worldwide and is projected to increase substantially over the next two decades, particularly if not detected in its early stages. The primary aim of this study is to construct a quantitative structure-property relationship (QSPR) by correlating calculated entropies with topological indices and specific physical-chemical properties of pharmaceuticals, in order to enhance their usefulness. The bicubic regression model is constructed through degree-based topological entropies to perform the QSPR analysis for the prediction of physiochemical properties like polar surface area, complexity, molar refractivity, boiling point, and polarity of skin cancer drugs. It is also examined that degree-based entropies provide best-fit models for skin cancer physiochemical properties. We inspected five physio-chemical properties of these anticancer drugs and found this methodology suitable for predicting best-fit approximations regarding <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msup><mml:mrow><mml:mi>R</mml:mi></mml:mrow> <mml:mrow><mml:mn>2</mml:mn></mml:mrow> </mml:msup> </mml:math> value. It is expected that this approach will be very favourable to examining problems related to mathematical chemistry.

HeliyonVol. 10(20)
Ghazi University (PK), Jazan University (SA)
Jazan University
Good health and well-being
Openalex Percentile: Top 16%
Computational Drug Discovery Methods
1.45
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Bicubic regression analysis a novel approach for estimation of physicochemical properties of skin cancer drugs through degree based entropy — Abdul Rauf Khan, Khalil Hadi Hakami, et al. · Heliyon (2024) | TGRS Research Map | TGRS