Prediction of the Drug’s clearance correlation between humans and rats

Abstract

Introduction: Plasma clearance is an important pharmacokinetic parameter that expresses the overall ability of the living organism to remove the drug. Animal species, such as rats, are used to evaluate the biological activity and pharmacokinetics of drugs such as clearance. In some drugs, the relationship between the clearance of a drug in rats and humans is not acceptable.Aim: This study aims to develop a predictive method to evaluate the relationship between the clearance of drugs in rats and humans using structural parameters that determine the clearance of which drugs have an acceptable match between rats and humans.Method: A dataset of 395 drugs composed of humans and rats clearance data was applied in this study. The drugs, according to the clearance differences, were divided into two groups based on 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. Results: The results showed that the developed models are a useful way to show which drug have an acceptable correlation between humans and rats clearance by using structural features. They can be used to determine the group of drugs with an accuracy of 74%. Conclusion: According to the validation results, the developed method has an acceptable accuracy in checking the relationship between the clearance of drugs in humans and rats, and also, taking into account the mentioned features, this modeling can be used to exclude the drugs from experiments in rats which have a considerable difference in clearance of humans and rats.