Fundamental Aspects of Skin Cancer Drugs via Degree-Based Chemical Bonding Topological Descriptors [PDF]
Molecules, 2023 Due to significant advancements being made in the field of drug design, the use of topological descriptors remains the primary approach. When combined with QSPR models, descriptors illustrate a molecule’s chemical properties numerically. Numbers relating
Abdul Rauf Khan +6 more
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Topological descriptors of philosophical text [PDF]
SHS Web of Conferences, 2019 The article considers the problem of topological descriptors of a philosophical text. Topological descriptors act as discursive points for the localization of the philosophical text, which allow us to describe its role and place in the production of ...
Danilova Marina, Enikeev Anatoliy
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Computation of Vertex-Edge Degree Based Topological Descriptors for Hex-Derived Networks
IEEE Access, 2021 A numeric number that represents the entire structure of a graph is defined to be a topological descriptor. Graph theory has been found to be a useful area of research in the direction of topological descriptors.
Ali Ahmad +2 more
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QSPR Modeling of Fungicides Using Topological Descriptors [PDF]
International Journal of Analytical Chemistry, 2023 A topological index is a real number that is obtained from a chemical graph’s structure. Determining the physiochemical and biological characteristics of a variety of medications is useful since it more accurately represents the theoretical ...
Saima Parveen +6 more
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Analysis of octane isomer properties via topological descriptors of line graphs [PDF]
Scientific ReportsCurrently, graph-based molecular structure descriptors are frequently used in QSAR (Quantitative Structure-Activity Relationship) and QSPR (Quantitative Structure-Property Relationship) modeling of the properties of chemical compounds.
Tariq Alraqad +6 more
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On degree-based operators and topological descriptors of molecular graphs and their applications to QSPR analysis of carbon derivatives [PDF]
Scientific ReportsThis work initiates a concept of reduced reverse degree based $$\mathcal {RR_D\,M}$$ RR D M -Polynomial for a graph, and differential and integral operators by using this $$\mathcal {RR_D\,M}$$ RR D M -Polynomial.
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Chromatic hyper Zagreb topological descriptors and QSPR analysis of certain skin cancer drugs [PDF]
Frontiers in ChemistrySkin cancer is one of the most common diseases, and studying its drugs is important for effective treatment and drug design. Drugs for melanoma, immunosuppressants, and topical drug administration have a bright future in the investigation of skin cancer ...
R. Pavithra, J. Ravi Sankar
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Mathematical modeling and estimation of physicochemical characteristics of pneumonia treatment drugs through a novel approach K-Banhatti topological descriptors [PDF]
Frontiers in ChemistryIntroductionPneumonia is the primary cause of mortality in preterm infants in developing nations; yet, early detection and treatment can significantly reduce mortality rates.
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Degree-based topological indices and their graph energies in the QSPR analysis and ranking of UV-filter compounds [PDF]
Frontiers in ChemistryUltraviolet (UV) filters are essential ingredients in sunscreens and personal care products, and understanding their physicochemical properties is important for evaluating their performance and applicability.
Merin Manuel, Parthiban Angamuthu
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Computation of Vertex-Based Topological Descriptors of Organometallic Monolayers of TM3C12S12
Journal of Mathematics, 2021 Topological descriptors are mathematical values related to chemical structures which are associated with different physicochemical properties. The use of topological descriptors has a great contribution in the field of quantitative structure-property ...
Dalal Alrowaili +6 more
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