QSPR-моделювання об’єму розподілу активних фармацевтичних інгредієнтів

Abstract

Accurate determination of pharmacokinetic parameters, particularly the volume of distribution, is a critically important step in the development and use of pharmaceutical drugs. The volume of distribution defines the extent to which a drug disperses within the body and directly affects the efficacy and safety of therapy. Modern computer technologies offer new opportunities for rapid and precise prediction of the volume of distribution without the need for extensive experimental studies. In particular, QSPR methods enable the use of chemical structure information to model pharmacokinetic properties. The aim of this study is to develop a computational model to predict the volume of distribution of active pharmaceutical ingredients based on their chemical structure.