Articles with "advanced qspr" as a keyword



Advanced QSPR modeling of profens using machine learning and molecular descriptors for NSAID analysis

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Published in 2025 at "Scientific Reports"

DOI: 10.1038/s41598-025-09878-z

Abstract: In this paper, we present a predictive model based on artificial neural network (ANN) to evaluate principal physicochemical properties of a set of anti-inflammatory drugs based on chosen topological indices. The molecular descriptors were calculated… read more here.

Keywords: advanced qspr; machine learning; molecular descriptors; qspr modeling ... See more keywords