Investigation of Dendrimer Structures by Means of K‐Banhatti Invariants

Abstract

Dendrimers are highly branched macromolecules. The structural chemistry of dendrimers could be shaped by their topological invariants to target the particular design with appropriate properties to bring the drugs to mark a carrier vehicle. This study is about some new topological indices of dendrimer generations. Here, we calculate K Banhatti indices for five generations of dendrimers. Precisely speaking, we computed the 1st K Banhatti redefined Zagreb index, 2nd K Banhatti redefined Zagreb indices, and 3rd K Banhatti redefined Zagreb index for the dendrimers D i p for i = 1,2,3,4,5 .

Decoding Nonsteroidal Anti-inflammatory Drugs with Sombor Invariants: A Quantum Leap in QSPR Modeling

“…Experimental determinations in chemistry can be costly, but QSPR modeling research can help reduce these costs by providing insights into biological processes and structural facets. QSPR and QSAR techniques enable the construction of accurate models predicting the characteristics or actions of organic molecules [16][17][18]. However, developing realistic models requires an approach capable of encoding predicted molecular structure descriptors effectively.…”