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November 13, 2025Scientific ReportsOpen Access

Predictive power of parametric temperature based topological indices with applications in structure property modeling of anti tuberculosis drugs

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Authors

SHSakander HayatSASeham J.F. AlanaziMBMelaku Berhe Belay

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Overview

Cheminformatics reveals strong predictive power of topological indices for physicochemical properties in anti-tuberculosis drugs, suggesting novel drug development pathways.

Key Points

  • High correlation coefficients indicate strong predictive power for physicochemical properties like boiling point using topological indices.
  • Analysis of 22 benzenoid hydrocarbons provided insights into the effects of parametric temperature-based descriptors.
  • Statistical analysis and discrete optimization helped refine the predictive accuracy of the models.
  • The findings highlight the potential of these indices in aiding drug discovery and development for tuberculosis treatments.

Cite This Study

Hayat et al. (2025) studied this question.

synapsesocial.com/papers/692523c6c0ce034ddc354fffhttps://doi.org/10.1038/s41598-025-23529-3
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