Derivation of mathematical closed form expressions for certain irregular topological indices of 2D nanotubes
A numeric quantity that characterizes the whole structure of a network is called a topological
index. In the studies of QSAR and QSPR, the topological indices are utilized to predict the …
index. In the studies of QSAR and QSPR, the topological indices are utilized to predict the …
Mathematical analysis and molecular descriptors of two novel metal–organic models with chemical applications
Abstract Metal–Organic Networks (MONs) are made by chemical molecules that contain
metal ions and organic ligands. A crystalline porous solid called Metal–Organic Networks …
metal ions and organic ligands. A crystalline porous solid called Metal–Organic Networks …
QSPR analysis of some novel drugs used in blood cancer treatment via degree based topological indices and regression models
Topological indices (TIs) have several biological applications in the treatment of blood
cancer. TIs can be used to predict the efficacy of drugs in cancer treatment by providing …
cancer. TIs can be used to predict the efficacy of drugs in cancer treatment by providing …
On the construction of some bioconjugate networks and their structural modeling via irregularity topological indices
Bioconjugate networks refer to networks that are formed by connecting different molecules
or particles (such as proteins, enzymes, or nanoparticles) through covalent or non-covalent …
or particles (such as proteins, enzymes, or nanoparticles) through covalent or non-covalent …
[HTML][HTML] Structure-property modeling for thermodynamic properties of benzenoid hydrocarbons by temperature-based topological indices
Quantitative structure-property relationship (QSPR) modeling employs contemporary
mathematical tools to predict physicochemical, thermodynamic and biological properties of …
mathematical tools to predict physicochemical, thermodynamic and biological properties of …
Spectral techniques and mathematical aspects of K 4 chain graph
The resistance distance between any two vertices of a connected graph is defined as the net
effective resistance between them. An electrical network can be constructed from a graph by …
effective resistance between them. An electrical network can be constructed from a graph by …
Computational aspects of two important biochemical networks with respect to some novel molecular descriptors
Quantitative structure-activity relationship (QSAR) represents quantitative correlation of
biological structural features (called as topological indices) and pharmacological activity as …
biological structural features (called as topological indices) and pharmacological activity as …
Computational insights into zinc silicate MOF structures: topological modeling, structural characterization and chemical predictions
Metal-organic frameworks (MOFs) play a pivotal role in modern material science, offering
unique properties such as flexibility, substantial pore space, distinctive structure, and large …
unique properties such as flexibility, substantial pore space, distinctive structure, and large …
Study of mean-first-passage time and Kemeny's constant of a random walk by normalized Laplacian matrices of a penta-chain network
The mean first-passage time (MFPT), which refers to the expected time it takes for a system
to reach a state j given its current state i, that is t ji, falls under the fundamental theory of …
to reach a state j given its current state i, that is t ji, falls under the fundamental theory of …
Three‐Dimensional Structural Modelling and Characterization of Sodalite Material Network concerning the Irregularity Topological Indices
Topological characterization of 3D molecular structures is an emerging study area in
theoretical and computational chemistry. These structural descriptors are used in a variety of …
theoretical and computational chemistry. These structural descriptors are used in a variety of …