Fengwei Li
Current Organizations / Institutes
The organizations/institutes from the scholar's latest article
Previous Organizations / Institutes
The organizations / institutes from the scholar's other articles in the past ten years
Research Subjects
Fengwei Li has a total of 21 co-authors. Here are the top co-authors by number of shared publications:
Qingfang Ye
9 shared publications- Qingfang Ye
Honors College, Ningbo University of Finance & Economics
4 shared publications - Xiaoyan Zhang
School of Mathematical Science and Institute of Mathematics, Nanjing Normal University, Nanjing, China
3 shared publications - Yuefang Sun
School of Mathematics and Statistics Ningbo University Zhejiang 315211 China
3 shared publications - Hajo Broersma
Faculty of Electrical Engineering, Mathematics and Computer Science University of Twente Enschede The Netherlands
2 shared publications Juan Rada
Instituto de Matemáticas, Universidad de Antioquia, Medellín, Colombia
2 shared publications
Latest Publications
- Open Access
- 1 January 2026
- Published by Wiley in Complexity
- Vol. 2026 (1) , 2363849
Predicting Physicochemical Properties of Antibiotic Drugs via Neighborhood Degree‐Based Topological Indices and QSPR Models
Quantitative structure–property relationship (QSPR) models generate a mathematical formalism describing the molecular structure with the help of physical and chemical properties of compounds. In the present work, we are reporting an investigation on a set of neighborhood degree‐based topological indices for QSPR studies of some antibiotic drugs such as amoxicillin, ampicillin, ciprofloxacin, gemifloxacin, norfloxacin, oxytetracycline, sulfadimidine, sulfamethoxazole, sulfamethoxypyridazine, sulfanilamide, tetracycline, and thiram. For each drug there exists a modeled molecular graph, and some neighborhood degree‐based descriptors are calculated. The evaluated topological descriptors are used in QSPR models based on linear regression and logarithmic regression for the relationship between the molecular structure and physicochemical properties. The statistical study confirms that the neighborhood degree‐based descriptors have a robust predictive power, indicating an efficient molecular descriptor. We find that descriptors at the level of neighborhood degree are highly correlated with a variety of physicochemical properties of antibiotic molecules. The results underscore the mathematical significance and utility of these indexes in QSPR modeling and shed more light on the structural characterization and theoretical evaluation of biologically active molecules. This study is of use for gaining some insights regarding the structure–property relationship of the antibiotic drugs and justifies using a graph‐theoretical descriptor approach in drug property predictions.
- 1 January 2026
- Published by Wiley in Complexity
- Vol. 2026 (1) , 2363849
Open AccessPredicting Physicochemical Properties of Antibiotic Drugs via Neighborhood Degree‐Based Topological Indices and QSPR Models
Quantitative structure–property relationship (QSPR) models generate a mathematical formalism describing the molecular structure with the help of physical and chemical properties of compounds. In the present work, we are reporting an investigation on a set of neighborhood degree‐based topological indices for QSPR studies of some antibiotic drugs such as amoxicillin, ampicillin, ciprofloxacin, gemifloxacin, norfloxacin, oxytetracycline, sulfadimidine, sulfamethoxazole, sulfamethoxypyridazine, sulfanilamide, tetracycline, and thiram. For each drug there exists a modeled molecular graph, and some neighborhood degree‐based descriptors are calculated. The evaluated topological descriptors are used in QSPR models based on linear regression and logarithmic regression for the relationship between the molecular structure and physicochemical properties. The statistical study confirms that the neighborhood degree‐based descriptors have a robust predictive power, indicating an efficient molecular descriptor. We find that descriptors at the level of neighborhood degree are highly correlated with a variety of physicochemical properties of antibiotic molecules. The results underscore the mathematical significance and utility of these indexes in QSPR modeling and shed more light on the structural characterization and theoretical evaluation of biologically active molecules. This study is of use for gaining some insights regarding the structure–property relationship of the antibiotic drugs and justifies using a graph‐theoretical descriptor approach in drug property predictions.
- 14 August 2025
- Published by Taylor & Francis in Phosphorus, Sulfur, and Silicon and the Related Elements
- Vol. 200 (10) , 725-741
Computational analysis of some entropy measures for supramolecular chain of different complexes of N -salicylidene-L-valine
- 14 August 2025
- Published by Taylor & Francis in Phosphorus, Sulfur, and Silicon and the Related Elements
- Vol. 200 (10) , 725-741
Computational analysis of some entropy measures for supramolecular chain of different complexes of N -salicylidene-L-valine
- 1 August 2025
- Published by Elsevier in Applied Mathematics and Computation
- Vol. 509
The minimum atom-bond sum-connectivity index of graphs with given degree sequence
- 1 August 2025
- Published by Elsevier in Applied Mathematics and Computation
- Vol. 509
The minimum atom-bond sum-connectivity index of graphs with given degree sequence
- 26 July 2024
- Published by Elsevier in Applied Mathematics and Computation
- Vol. 482
Extremal graphs with given parameters in respect of general ABS index
- 26 July 2024
- Published by Elsevier in Applied Mathematics and Computation
- Vol. 482
Extremal graphs with given parameters in respect of general ABS index
- 27 November 2023
- Published by Elsevier in Discrete Applied Mathematics
- Vol. 344, 188-196
The greatest values for atom-bond sum-connectivity index of graphs with given parameters
- 27 November 2023
- Published by Elsevier in Discrete Applied Mathematics
- Vol. 344, 188-196
The greatest values for atom-bond sum-connectivity index of graphs with given parameters
- 17 November 2023
- Published by World Scientific Pub Co Pte Ltd in Parallel Processing Letters
- Vol. 34 (01)
On Entropy Measures of Some Titania and Carbon Nanotubes
A nanotube is a nanometer–scale tube-like structure, it is a kind of nanoparticle, and may be large enough to serve as a pipe through which other nanoparticles can be channeled, or, depending on the material, may be used as an electrical conductor or an electrical insulator. For computing the structural information of nanotubes, the graph entropies have become the information theoretic quantities. The graph entropy measure has attracted the research community due to its potential application in discrete mathematics, biology, and chemistry. In this paper, our contribution is to explore graph entropies for structures of some nanotubes based on novel information function, which is the number of different degree vertices along with the number of edges between various degree vertices. More precisely, we computed entropies of some classes of nanotubes such as titania nanotube TNT[ ], TNT[ ] and carbon nanotubes HAC[ ] by making a relation of degree-based topological indices with the help of information function.
- 17 November 2023
- Published by World Scientific Pub Co Pte Ltd in Parallel Processing Letters
- Vol. 34 (01)
On Entropy Measures of Some Titania and Carbon Nanotubes
A nanotube is a nanometer–scale tube-like structure, it is a kind of nanoparticle, and may be large enough to serve as a pipe through which other nanoparticles can be channeled, or, depending on the material, may be used as an electrical conductor or an electrical insulator. For computing the structural information of nanotubes, the graph entropies have become the information theoretic quantities. The graph entropy measure has attracted the research community due to its potential application in discrete mathematics, biology, and chemistry. In this paper, our contribution is to explore graph entropies for structures of some nanotubes based on novel information function, which is the number of different degree vertices along with the number of edges between various degree vertices. More precisely, we computed entropies of some classes of nanotubes such as titania nanotube TNT[ ], TNT[ ] and carbon nanotubes HAC[ ] by making a relation of degree-based topological indices with the help of information function.
- Open Access
The Decomposability of Toroidal Graphs without Adjacent Triangles or Short Cycles
A graph G has a -decomposition if there is a pair such that F is a subgraph of G and D is an acyclic orientation of , where the maximum degree of F is no more than h and the maximum out-degree of D is no more than d. This paper proves that toroidal graphs having no adjacent triangles are -decomposable, and for , toroidal graphs without i- and j-cycles are -decomposable. As consequences of these results, toroidal graphs without adjacent triangles are 1-defective DP-4-colorable, and toroidal graphs without i- and j-cycles are 1-defective DP-3-colorable for .Open AccessThe Decomposability of Toroidal Graphs without Adjacent Triangles or Short Cycles
A graph G has a -decomposition if there is a pair such that F is a subgraph of G and D is an acyclic orientation of , where the maximum degree of F is no more than h and the maximum out-degree of D is no more than d. This paper proves that toroidal graphs having no adjacent triangles are -decomposable, and for , toroidal graphs without i- and j-cycles are -decomposable. As consequences of these results, toroidal graphs without adjacent triangles are 1-defective DP-4-colorable, and toroidal graphs without i- and j-cycles are 1-defective DP-3-colorable for . - Open Access
- 1 January 2023
- Published by American Institute of Mathematical Sciences (AIMS) in Mathematical Biosciences and Engineering
- Vol. 20 (3) , 5169-5193
Extremal values of VDB topological indices over F-benzenoids with equal number of edges
The utilization of molecular structure topological indices is currently a standing operating procedure in the structure-property relations research, especially in QSPR/QSAR study. In the past several year, generous molecular topological indices related to some chemical and physical properties of chemical compounds were put forward. Among these topological indices, the VDB topological indices rely only on the vertex degree of chemical molecular graphs. The VDB topological index of an $ n $-order graph $ G $ is defined as \begin{document}$ TI(G) = \sum\limits_{1\leq i\leq j\leq n-1}m_{ij}\psi_{ij}, $\end{document} where $ \{\psi_{ij}\} $ is a set of real numbers, $ m_{ij} $ is the quantity of edges linking an $ i $-vertex and another $ j $-vertex. Numerous famous topological indices are special circumstance of this expression. f-benzenoids are a kind of polycyclic aromatic hydrocarbons, present in large amounts in coal tar. Studying the properties of f-benzenoids via topological indices is a worthy task. In this work the extremum $ TI $ of f-benzenoids with given number of edges were determined. The main idea is to construct f-benzenoids with maximal number of inlets and simultaneously minimal number of hexagons in $ \Gamma_{m} $, where $ \Gamma_{m} $ is the collection of f-benzenoids with exactly $ m $ $ (m\geq19) $ edges. As an application of this result, we give a unified approach of VDB topological indices to predict distinct chemical and physical properties such as the boiling point, $ \pi $-electrom energy, molecular weight and vapour pressure etc. of f-benzenoids with fixed number of edges.- 1 January 2023
- Published by American Institute of Mathematical Sciences (AIMS) in Mathematical Biosciences and Engineering
- Vol. 20 (3) , 5169-5193
Open AccessExtremal values of VDB topological indices over F-benzenoids with equal number of edges
The utilization of molecular structure topological indices is currently a standing operating procedure in the structure-property relations research, especially in QSPR/QSAR study. In the past several year, generous molecular topological indices related to some chemical and physical properties of chemical compounds were put forward. Among these topological indices, the VDB topological indices rely only on the vertex degree of chemical molecular graphs. The VDB topological index of an $ n $-order graph $ G $ is defined as \begin{document}$ TI(G) = \sum\limits_{1\leq i\leq j\leq n-1}m_{ij}\psi_{ij}, $\end{document} where $ \{\psi_{ij}\} $ is a set of real numbers, $ m_{ij} $ is the quantity of edges linking an $ i $-vertex and another $ j $-vertex. Numerous famous topological indices are special circumstance of this expression. f-benzenoids are a kind of polycyclic aromatic hydrocarbons, present in large amounts in coal tar. Studying the properties of f-benzenoids via topological indices is a worthy task. In this work the extremum $ TI $ of f-benzenoids with given number of edges were determined. The main idea is to construct f-benzenoids with maximal number of inlets and simultaneously minimal number of hexagons in $ \Gamma_{m} $, where $ \Gamma_{m} $ is the collection of f-benzenoids with exactly $ m $ $ (m\geq19) $ edges. As an application of this result, we give a unified approach of VDB topological indices to predict distinct chemical and physical properties such as the boiling point, $ \pi $-electrom energy, molecular weight and vapour pressure etc. of f-benzenoids with fixed number of edges. - Open Access
- 5 September 2022
- Published by Wiley
Extremal values of vertex--degree--based topological indices over fluoranthene-type benzenoid systems with equal number of edges
Let $G$ be a graph with $n$ vertices. A vertex–degree–based topological index is defined from a set of real numbers $\{\psi_{ij}\}$ as $$TI(G)=\sum_{1\leq i\leq j\leq n-1}m_{ij}\psi_{ij},$$ where $m_{ij}$ is the number of edges of $G$ connecting a vertex of degree $i$ with a vertex of degree $j$. Many of the well–known topological indices are particular cases of this expression, including all Randi\’{c}-type connectivity indices. In this work we determine extremal values for $TI$ over the set of fluoranthene–type benzenoid systems with a fixed number of edges. The main idea consists in constructing fluoranthene–type benzenoid systems with maximal number of inlets in $\Gamma_{m}$ which have simultaneously minimal number of hexagons, where $\Gamma_{m}$ is the set of fluoranthene–type benzenoid systems with exactly $m(m\geq19)$ edges.- 5 September 2022
- Published by Wiley
Open AccessExtremal values of vertex--degree--based topological indices over fluoranthene-type benzenoid systems with equal number of edges
Let $G$ be a graph with $n$ vertices. A vertex–degree–based topological index is defined from a set of real numbers $\{\psi_{ij}\}$ as $$TI(G)=\sum_{1\leq i\leq j\leq n-1}m_{ij}\psi_{ij},$$ where $m_{ij}$ is the number of edges of $G$ connecting a vertex of degree $i$ with a vertex of degree $j$. Many of the well–known topological indices are particular cases of this expression, including all Randi\’{c}-type connectivity indices. In this work we determine extremal values for $TI$ over the set of fluoranthene–type benzenoid systems with a fixed number of edges. The main idea consists in constructing fluoranthene–type benzenoid systems with maximal number of inlets in $\Gamma_{m}$ which have simultaneously minimal number of hexagons, where $\Gamma_{m}$ is the set of fluoranthene–type benzenoid systems with exactly $m(m\geq19)$ edges.