A method of evaluating a degree of molecular symmetry is suggested. The sym
metry criteria calculated by this technique are useful for predicting phase
transition temperatures in mesogen compounds. Methods of evaluating chiral
ity avoiding molecular representation as a set of simplices are proposed. T
he efficiency of these methods is verified on model structures belonging to
different symmetry groups. The new approach may be used to analyze stereoc
hemical relationships between atoms in a molecule.