Results 251 to 260 of about 109,183 (305)
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International Journal of Quantum Chemistry
A novel geometric method is proposed for constructing vertex‐degree‐based molecular structure descriptors (topological indices). The model is based on an ellipse whose focal points represent the degrees of a pair of adjacent vertices.
Ivan Gutman, Boris Furtula, M. Oz
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A novel geometric method is proposed for constructing vertex‐degree‐based molecular structure descriptors (topological indices). The model is based on an ellipse whose focal points represent the degrees of a pair of adjacent vertices.
Ivan Gutman, Boris Furtula, M. Oz
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Molecular Physics, 2023
Topological indices serve as mathematical tools for characterising the molecular structure of a compound, and are useful to anticipate its properties. Actually, these are quantitative measures that can provide valuable information regarding the structure
Abdul Hakeem, Asad Ullah, Shahid Zaman
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Topological indices serve as mathematical tools for characterising the molecular structure of a compound, and are useful to anticipate its properties. Actually, these are quantitative measures that can provide valuable information regarding the structure
Abdul Hakeem, Asad Ullah, Shahid Zaman
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Extremal chemical graphs of maximum degree at most 3 for 33 degree-based topological indices
Match-communications in Mathematical and in Computer ChemistryWe consider chemical graphs that are defined as connected graphs of maximum degree at most 3. We characterize the extremal ones, that is, those that maximize or minimize 33 degree-based topological indices.
Sébastien Bonte +4 more
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Comput. Biol. Medicine
Topological indices, derived from molecular graphs, provide valuable numerical descriptors for the comprehensive analysis of pharmaceuticals. These indices are pivotal in the physicochemical characterization and predictive assessment of various drugs. In
M. W. Rasheed
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Topological indices, derived from molecular graphs, provide valuable numerical descriptors for the comprehensive analysis of pharmaceuticals. These indices are pivotal in the physicochemical characterization and predictive assessment of various drugs. In
M. W. Rasheed
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Vertex-Degree Based Topological Indices of Graphene
Polycyclic Aromatic Compounds, 2020A vertex-degree-based (VDB, for short) topological index φ is defined for a graph G with n vertices as φ(G)=∑1≤i≤j≤n−1mi,j(G)φ(i,j), where mi,j=mi,j(G) is the number of edges of G joining a vertex ...
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On the QSPR Analysis of Diabetic Nephropathy with the Degree-based Topological Indices
Asian Journal of Chemical SciencesAims: In this article, the drugs used in the treatment of Diabetic Nephropathy are analyzed using the topological indices, and a QSPR analysis of the chemical properties is done.
S. Nagarajan, B. Aswini
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Entropies and Degree-Based Topological Indices of Coronene Fractal Structures
Fractal and FractionalMolecular fractals are geometric patterns that appear self-similar across all length scales and are constructed by repeating a single unit on a regular basis. Entropy, as a core thermodynamic function, is an extension based on information theory (such as
Si-Ao Xu, Jia-bao Liu
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Polycyclic aromatic compounds (Print), 2023
Degree-based topological indices are very useful tools to model and characterize the molecular structure of drugs in order to predict their physicochemical properties without going into laborious and time-consuming laboratory experiments.
Abdul Hakeem +3 more
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Degree-based topological indices are very useful tools to model and characterize the molecular structure of drugs in order to predict their physicochemical properties without going into laborious and time-consuming laboratory experiments.
Abdul Hakeem +3 more
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Reversed degree-based topological indices for benzenoid systems
2021Summary: Topological indices are numerical values that correlate the chemical structures with physical properties. In this article, we compute some reverse topological indices namely reverse Atom-bond connectivity index and reverse Geometric-arithmetic index for four different types of Benzenoid systems.
Virk, Abaid Ur Rehman +3 more
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Reverse-degree-based topological indices of fullerene cage networks
Molecular Physics, 2023Totally made of carbon atoms, fullerene is a spherical molecule with a three-dimensional pattern like a soccer ball. The most prevalent kind of fullerene is C60, which has 60 carbon atoms organised in a pattern like that of a soccer ball (12 pentagons ...
A. Ahmad, Ali N. A. Koam, Muhammad Azeem
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