Prediction of the Drug’s Clearance Correlation Between Humans and Rats
摘要
Animal species, i.e. rats, are used to evaluate a drug’s biological activity and pharmacokinetics, such as clearance. This study aims to develop a predictive method to evaluate the relationship between the clearance of drugs in rats and humans. Adataset of 395 drugs composed of human and rat clearance data was applied in this study. The drugs, according to the clearance differences, were divided into two groups on the basis of the correlation between humans and rats. Structural parameters were used to develop a model to estimate the class of each drug by binary logistic regression. The results showed that the developed models are a useful way to show which drug have an acceptable correlation between human and rat clearance by using structural features. They can be used to determine the group of drugs with an accuracy of 74%. According to the validation results, the developed method has an acceptable accuracy for checking the relationship between the clearance of drugs in humans and rats. This modeling can be used to exclude the drugs from experiments in rats which reveal a considerable difference between the clearance of humans and that of rats.