Molecular descriptors - a mathematical approach to characterize psychedelic substances

Abstract

Molecular descriptors convert the chemical and structural information into mathematical language. They allow the description of physical and chemical properties in numerical format. An important role of this transformation is to provide an easier identification of related substances, based on the similarities between their molecular descriptors. This paper analyses different molecular descriptors determined for the main 2C-x and DOx psychedelic phenethylamines.