2021
DOI: 10.4028/www.scientific.net/kem.884.282
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<i>In Silico</i> Prediction of Betulinic Acid Derivatives’ Cytotoxicity: Relationship between Topological Descriptors and CC<sub>50</sub> Value

Abstract: Modeling of the relationship between structure and cytotoxicity has helped in the process of designing safer new drug compounds. In this study, modeling was carried out between the structures of 29 betulinic acid derivatives with their cytotoxicity. The modeling is done by using multiple linear regression (MLR) techniques. In the model, an equation is obtained by involving five descriptors and has statistical parameters as r2training of 0.776; Fcal/Ftab of 4.503; r2test of 0.985; r2m of 0.971. The five descrip… Show more

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