Topological Indices and QSPR Analysis of NSAID Drugs

Abstract

We were motivated to examine the quantitative structure–property relationships (QSPR) of nonsteroidal anti-inflammatory drugs (NSAIDs) by prior work on medicines. To do this, we made use of topological indices and analyzed the data (NSAIDs). A topological index is a measure that can be used to reflect the theoretical features of chemical substances. In this piece, well-known degree-based topological indices are applied to the chemical structures of medications that are used for the management of pain. These medicines include opiates, antidepressants, and others. These medications are taken to lessen or get rid of the feeling of discomfort in the affected area. When a molecule’s chemical structure is depicted as a graph, the elements themselves are considered to be the nodes of the graph, while the boundaries that exist between them take on the role of the graph’s edges. In addition, the QSPR analysis of topological indices was investigated, and the results showed that these indices have a strong correlation with the physical properties of chemical compounds that are used in the manufacturing of painkillers. This was demonstrated by the fact that topological indices were examined.