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 TiO2) 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 R2 of 0.9642. In addition, the good results of leave one out cross-validation (Q2=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.