New parameterization of the PM3 method for monosaccharides

► d-Hexopyranoses (1-3) were used in the fitting of PM3 parameters. ► d-Pentapyranoses (4-7) were used to test performance of the fitted parameters outside of the training set. ► New PM3(MS) parameterization brings about better geometry of saccharides. ► New PM3(MS) parameters give improved ordering of saccharide conformers.