Analysis of molecular chirality using the lattice model of spatial structure

A lattice model of the spatial structure of a molecule is suggested. A brok en line is constructed to characterize atoms and molecular fragments. The l ine is a spiral (left or right) embracing the whole lattice containing the molecule. The mutual arrangement of molecular fragments along the broken li ne is described by a molecular code. The code contains all the necessary in formation about molecular conformation and configuration in cot compressed form. Comparing the codes makes it possible to evaluate the structural simi larity and dissimilarity of molecules. For example, one can easily estimate the chirality level for enantiomers. Using this approach is demonstrated o n various model structures.