Optimization of Metabolic Stability of Ligands of Serotonin Receptor 5-HT7 Using SHAP Values

Abstract

There are numerous computational tools which support the design of new potential ligands. They assist in the evaluation of potential compound activity as well as in the optimization of compound physicochemical and pharmacokinetic properties. Nowadays, they are an indispensable element of the drug design process; both time and money can be saved with their application.