correlating side effects and properties of analgesics with distance‎- ‎and degree-based topological indices

‎this study investigates the relationship between the structural properties of 22 analgesic molecules‎, ‎including opioids and non-steroidal anti-inflammatory drugs (nsaids)‎, ‎and their physico-chemical properties and side effects‎. ‎opioids are effective for managing moderate to severe pain but carry risks of addiction and dependence‎, ‎while nsaids are widely used for their analgesic‎, ‎antipyretic‎, ‎and anti-inflammatory properties‎, ‎with risks primarily linked to gastrointestinal and cardiovascular complications‎. ‎using graph theoretical approaches‎, ‎we modeled these molecules as molecular graphs‎, ‎calculating ten distance‎- ‎and degree-based topological indices‎. ‎the analysis aims to identify structural patterns that correlate with the drugs’ therapeutic effects and adverse reactions‎. ‎by leveraging computational tools such as sage‎, ‎we explore how molecular topology can influence the pharmacological properties of analgesics‎, ‎offering insights into the design of new analgesics with optimized efficacy and safety profiles‎. ‎the results provide insight into connections between molecular structure and clinical outcomes‎, ‎contributing to more effective and safer approaches to pain management‎.