In a number of cases, new SuperClass and Class terms were created for chemical categories not explicitly defined in the literature. Of these, the resulting “novel” categories were typically constructed from the IUPAC nomenclature for organic and inorganic compounds. Because our chemical dictionary was built from extant or common terms, it contains many community-specific categories commonly used in the (bio-)chemical nomenclature (e.g. primary amines, steroids, nucleosides). Moreover, due to the diverse nature of active and biologically interesting compounds, many chemical categories linked to specific chemical activities or based on biomimetic skeletons (e.g. alpha-sulfonopeptides, piperidinylpiperidines) were added. For instance, several compounds from the category of imidazo[1,2-a]pyrimidines (CHEMONTID:0004377) have been shown to display GABA(A) antagonist activity, and a potential to treat anxiety disorders [35 (link)].
After all the dictionary terms were identified and compiled (4825 terms to date), each term was formally defined using a precise, yet easily understood text description that included the structural features corresponding to that chemical category (Fig.
The chemical taxonomy. The taxonomy is illustrated with the OBO-Edit software, showing definitions synonyms, references, and extended information