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Regression-Classification Algorithm for Screening of Antiradical Activity of Flavonoids and the Related Structures

Russian Journal of General Chemistry, ISSN: 1608-3350, Vol: 92, Issue: 8, Page: 1408-1419
2022
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Article Description

Abstract: A regression-classification algorithm for screening the antiradical activity of flavonoids and the related structures in the media with physiological pH and a specialized kinetic reaction scheme have been proposed. The algorithm is based on the combination of descriptor–activity single-factor linear regressions. The high predictive ability of the presented model has been confirmed by the low relative error (not exceeding 15%) in approximating the reactions rate constants of the control group of substances with nitrogen- and oxygen-centered radicals.

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