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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| Date: | 2026 |
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| Main Authors: | , |
| Format: | Article |
| Language: | English |
| Published: |
V.I.Vernadsky Institute of General and Inorganic Chemistry
2026
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| 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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