“…A first group of variables (subset-1, 20 variables) corresponds to molecular descriptors predicted by ACD/Labs and ChemAxon calculations: logarithm of octanol-water partition coefficient estimated at pH 7.4, polar surface area, hydrogen bond donors and acceptors, polarizability, molar refractivity, molar volume, freely rotatable bonds, surface tension, molecular mass, molecular surface area, van der Waals volume, Dreiding energy, orbital electronegativity of the chiral carbon atom, maximal and minimal projection area, maxima and minimal z length, charge and Huckel analysis-pi energy. A similar set of variables has been successfully used in a previous paper to model HS--CD enantioresolution ability [22]. Additionally, a new set of topological parameters (subset-3, 7 variables) have been introduced in this work.…”