A COSMO-RS sigma profile is a histogram representing the distribution of screened charges across the surface of a molecule. This profile serves as indicator of the molecule polarity, capturing the distribution of electronic charge as influenced by the surrounding solvent environment. In order to compute such sigma profile, the process begins with the optimization of molecular geometries under the COSMO continuum solvation model, employing DFT calculations. This optimization delineates the molecule surface into discrete segments, for which the screened charge density is computed. Subsequently, these charge densities are aggregated into a histogram, delineating the probability of encountering specific charge densities across the molecule surface, which is here referred to as the sigma profile. However, as pointed out by , the term sigma profile is also used in the literature to refer to the product of the probability of charge densities times the molecule total surface area.