SAR AND QSAR MODELING OF ALGICIDAL COMPOUNDS BASED ON PHYSICOCHEMICAL DESCRIPTORS

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.