Topological Modeling of log D7.4 of Hydroxylated Aromatic Aldehydes
Keywords:
Toxicity, logD7.4, topological indices, QSAR, regression analysisAbstract
The quantitative Structure-Aciivity Relationship (QSAR) was performed for a set of 25 hydroxylated aromatic aldehydes for modeling logD7.4 , responsible for exhibiting toxicity ,using topological indices . The purpose of the study is, therefore, to find out topological dependence of logD7.4 vis-à-vis toxicity. Multiple regression analysis (MLR)was used for obtaining statistically significant models. The results show that statistically significant models are obtained in multi-parametric regression model in that Ss,Xu and MSD are found useful in modeling of logD7.4 .
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