SAR AND QSAR MODELING OF ALGICIDAL COMPOUNDS BASED ON PHYSICOCHEMICAL DESCRIPTORS
Том 2 № 6 (2025), Articles
Том 2 № 6 (2025)

SAR AND QSAR MODELING OF ALGICIDAL COMPOUNDS BASED ON PHYSICOCHEMICAL DESCRIPTORS

Articles
Опубликован 2025-06-24
  • Ulug‘bek Pardayev
  • Yulduz Akramova
  • Gulhayo Majidova
  • Mehroj Xolmirzayev
Ulug‘bek Pardayev
Yulduz Akramova
Gulhayo Majidova
Mehroj Xolmirzayev
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Ключевые слова

algicidal compounds, physicochemical descriptors, SAR, QSAR, predictive modeling, organic pesticides, environmental toxicity.

Аннотация

This study presents a comprehensive structure–activity relationship (SAR) and quantitative structure–activity relationship (QSAR) analysis of organic compounds with algicidal properties. By employing a dataset of structurally diverse molecules, we evaluated the predictive power of key physicochemical descriptors, including boiling point, melting point, vapor pressure, logP, and molecular weight. Statistical models were constructed using multiple linear regression and validated through cross-validation techniques to assess their accuracy and robustness. The results indicate that certain descriptors, particularly logP and vapor pressure, show a strong correlation with algicidal efficacy. The proposed models provide a valuable framework for the rational design and pre-screening of environmentally safe algicides, reducing the need for labor-intensive bioassays.

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