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 …
On the topological descriptors and structural analysis of cerium oxide nanostructures
Chemical graph theory (CGT) is a field of mathematical chemistry focused on the study of
molecules by applying classic graph theory. CGT studies molecules as graphs in which …
molecules by applying classic graph theory. CGT studies molecules as graphs in which …
Network‐Based Modeling of the Molecular Topology of Fuchsine Acid Dye with Respect to Some Irregular Molecular Descriptors
Fuchsine acid is one of the supramolecular dyes used in Masson's trichrome stain and has
enormous applications in histology. It is also used in Van Gieson's method with picric acid to …
enormous applications in histology. It is also used in Van Gieson's method with picric acid to …
Fundamental aspects of skin cancer drugs via degree-based chemical bonding topological descriptors
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 …
topological descriptors remains the primary approach. When combined with QSPR models …
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 …
Predictive potential of K‐Banhatti and Zagreb type molecular descriptors in structure–property relationship analysis of some novel drug molecules
Topological indices (TIs) can be used to forecast molecules' biological activity,
physicochemical features, and toxicity. The use of topological indices and regression …
physicochemical features, and toxicity. The use of topological indices and regression …
Zagreb connection topological descriptors and structural property of the triangular chain structures
Mathematical chemistry is concerned with the use of mathematics to solve the problems in
chemistry. A triangular chain graph is a simple graph composed of a series of triangles. This …
chemistry. A triangular chain graph is a simple graph composed of a series of triangles. This …