Kinkar Chandra Das

S.Mondal and K. C.Das, “Comment on “Role of Molecular Descriptors in Quantitative Structure-Property Relationship Analysis of Kidney Cancer Therapeutics”,” International Journal of Quantum Chemistry126, no. 9 (2026): e70197, https://doi.org/10.1002/qua.70197. An integral focus of mathematical chemistry is the exploration of topological indices, which are numerical descriptors derived from the molecular graph of a chemical compound.

Topological indices, invariant under symmetry transformations that preserve a graph's connectivity, are fundamental tools in mathematical chemistry. By capturing intrinsic symmetries and connectivity patterns, these indices provide insightful analyses of molecular stability, reactivity, and other fundamental properties, making them indispensable in cheminformatics and theoretical chemistry. Among these, the harmonic index ( H $$ H $$ ) is important in both chemistry and mathematics.

You are already at the latest version Recently the exponential arithmetic-geometric index ($EAG$) was introduced. The exponential arithmetic-geometric index ($EAG$) of a graph $G$ is defined as $$EAG(G)=\sum_{v_iv_j \in E(G)}\,e^\frac{d_i + d_j}{2 \sqrt{d_i d_j}},$$ where $d_i$ represents the degree of the vertex $v_i$ in $G$. The characterization of extreme structures in relation to graph invariants from the class of unicyclic graphs is an important problem in discrete mathematics.