Predicting Photo-degradation Rate of Sulfa Drugs by Using Norm Indexes-based QSPR Model

Abstract

In order to describe the structure and photo-degradation property (by using the catalyst TiO 2 ) of sulfa drugs quantitatively, a QSPR model based on the norm indexes proposed in this work was developed, and our model was evaluated by some statistical parameters. Photo-degradation rate values of 8 sulfa drugs were tested firstly. And our model could give good predictive accuracy with low relative deviation values and high the squared correlation coefficient R 2 of 0.9642. In addition, the good results of leave one out cross-validation (Q 2 =0.9073) further illustrated the stability and reliability of this model. This study demonstrated that this model could describe the relationship of photo-degradation property and structure of sulfa drugs accurately. And this norm-indexes method might be valuable for the transfer and transformation assessment of environmental pollutants.