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The computational analysis of topological descriptors offers valuable insights into the molecular characteristics of antiviral drugs, potentially correlating with their pharmacological properties and efficacy against viral infections.
Apr 30, 2024
Computational analysis of antiviral drugs using topological descriptors
pubmed.ncbi.nlm.nih.gov › ...
These descriptors provide insights into these drugs' structural and physicochemical characteristics, aiding in understanding their mechanism of action and the ...
The computational analysis of topological descriptors offers valuable insights into the molecular characteristics of antiviral drugs, potentially correlating ...
6 days ago · AVPs are being investigated as potential alternatives to traditional antiviral drugs. The development of novel antiviral agents is of the ...
Sep 12, 2024 · Degree-based topological indices are calculated using Python algorithm, providing important information about the structural behavior of drugs ...
Jun 7, 2024 · The aim of the study is to employ M-polynomial, neighborhood M-polynomial approach and QSPR/QSAR analysis to evaluate specific antiviral drugs.
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A paradigmatic approach to the molecular descriptor computation ...
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This study investigates several irregularity-based topological indices for various antiviral medicines, depending on the degree of irregularity. In order to ...
Aug 14, 2023 · This QSPR study provides the mathematical relationship between the phsyico- chemical properties and different topological descriptors. This ...
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In the field of chemical and medical sciences, topological indices are used to study the chemical, biological, clinical, and therapeutic aspects of ...
Oct 22, 2024 · Topological indices are used to research the chemical, biological, clinical, and medicinal properties of drugs in the field of chemical and ...