Synapse
⌘+K
Synapse
PulseExploreClubsResearchersJournals
Instagram
HomeClubsExplore
July 26, 2026Scientific ReportsOpen Access

Topological indices and QSPR analysis of drug molecules from different therapeutic classes

View Full Paper
Ask AI
Bookmark
Share

Authors

ZMZeeshan Saleem MuftiURUmm e RubabAAAiedh Mrisi Alharthi

Discussion

Loading...

Member takes

Overview

Randomized trial explores neighbourhood connectivity in drug molecules, highlighting its predictive power for physicochemical properties.

Key Points

  • The aim is to evaluate the predictive ability of neighbourhood connectivity descriptors across various therapeutic drug classes.
  • Ten drug molecules from different therapeutic classes selected for analysis.
  • Molecular structures were represented as graphs, calculating neighbourhood degree-based topological indices.
  • Linear, quadratic, and cubic QSPR regression models correlated descriptors with nine physicochemical properties.
  • Neighbourhood-based descriptors correlated well with physicochemical properties, capturing structural information.
  • Significant performance indicated by high coefficients of determination (R²) across models.
  • Support for using these descriptors in broader QSPR studies beyond specific therapeutic areas.

Cite This Study

Mufti et al. (2026) studied this question.

synapsesocial.com/papers/6a65a7e0d3aea3239cd78749https://doi.org/10.1038/s41598-026-62242-7
View Full Paper
Ask AI
Bookmark
Share

Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1QSAR analysis of drugs using graph based degree based topological indices and regression models2026 · 2 citations
  2. 2QSPR modeling of physicochemical properties of SSRI and SNRI antidepressants using advanced molecular graph descriptors2026
  3. 3A QSPR analysis of physical properties of antituberculosis drugs using neighbourhood degree-based topological indices and support vector regression2024 · 28 citations
  4. 4On the QSPR Models of some Anti-Malaria Drugs using some Reversed Degree-Based Topological Indices2024 · 2 citations
  5. 5Predicting properties of antifungal drug molecules using neighborhood degree topological indices2026