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A. Rassabina

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Open access Sep 2026

From Chemical Scaffold to Predicted Toxicity: A Scaffold-Aware Pipeline for Reliable In Silico Prioritization of Heracleum Furanocoumarins

A reproducible computational pipeline that evaluates not the predictions themselves but their reliability of furanocoumarins of the genus Heracleum as a model class of natural products, indicating that the predicted toxicological profile is determined predominantly by molecular structure.

A. Rassabina, V. Safronov, Maxim V. Fedorov · 0 citations

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