The most flexible, but also most symmetrical, case for the rings was selected as the point of reference, which is the corresponding cycloalkane. For each of their conformations as reported in literature, the torsion angle ensembles were obtained and analyzed for symmetries to obtain information about how many different cases of one conformation could occur should asymmetries be present. As an example, the chair conformation of cyclohexane exhibits an torsional angle pattern of two different repeating values, which can be expressed in numbers as 121212. If no substituents or heteroatoms, which could potentially break symmetries, are present, there is only one chair that can be distinguished (121212 = 212121). When hetero atoms and/or substituents break symmetry, 121212 and 212121 become distinguishable and hence two chairs can be identified, resulting in two different chair conformations connected by the chair flip. This analysis was performed for ring sizes ranging from three to eleven (Table Additionally, it should be noted that in the TABS procedure, no ordering by neighbouring bonds is enforced, meaning that the symbolically written 121212 for the two present unique angle values in the chair conformation of cyclohexane could present in a permuted form when running the TABS code. Macrocycles. The ring strain of aliphatic rings decreases with their size, hence from a ring size of 12 onwards, their torsion profiles resemble those of their linear counterparts. Therefore, when generating TABS, macrocycles will again be classified by the states of their dihedrals, in line with non-ring torsions. As this still leads to a substantial overestimation of the accessible conformational space, we introduced a correction factor when counting the number of possible TABS. Details of the derivation of the correction factor are given in the Supporting Information S4. The corrected upper bounds used for macrocycles in the nTABS calculations are displayed in Table As the intended usage of TABS in its current form is for small to medium sized drug-like molecules, larger macrocycles (> 16) are not recommended to be analyzed with it.