ArticleFrontiers in chemistry2026
Eccentricity-based topological indices of QSPR modelling using anti-cancer drugs.
Article in Frontiers in chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
In chemical graph theory, topological indices are essential for relating physicochemical properties and molecule structures. This study predicts the properties of 23 anti-cancer drugs by combining 13 eccentricity-based topological indices obtained from hydrogen-depleted molecular graphs with regression approaches. Among these, eccentricity-based topological indices are particularly effective at capturing molecular graphs' global structural features. Predictive models are created utilizing linear, ridge, and elastic net regression techniques after the obtained indices are related with specific physicochemical properties. The accuracy of the model was assessed using
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