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OPTIMIZATION OF QSAR MODELS FOR PREDICTION OF BIOLOGICAL ACTIVITY MOLECULES USING MACHINE LEARNING METHODS

Molecular modeling plays a central role in modern computational chemistry, particularly in the early stages of drug discovery, where researchers must rapidly and reliably predict the biological activity of large sets of potential candidates. Quantitative Structure–Activity Relationship (QSAR) models...

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Bibliographic Details
Date:	2026
Main Authors:	Maslov, Danilo, Golub, Oleksandr
Format:	Article
Language:	English
Published:	V.I.Vernadsky Institute of General and Inorganic Chemistry 2026
Online Access:	https://ucj.org.ua/index.php/journal/article/view/772
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Journal Title:	Ukrainian Chemistry Journal

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Ukrainian Chemistry Journal

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