Ehrlich established the notion of pharmacophore in 1909, defining it as a molecular framework that carries (phoros) the fundamental elements responsible for the biological activity of a medicine (pharmacon). The core pharmacophore notion has remained unaltered over a century, but its purposeful meaning and application range have grown significantly. According to the most recent definition by IUPAC, a pharmacophore model is an ensemble of steric and electronic features that is required to ensure optimal supramolecular interactions with a specific receptor and to trigger or diminish its biological response.