One possibility would be to look for a correlation between binding energy and dipole moment. Certainly, dimers with a larger dipole moment will interact more strongly with solvent, which may increase the binding energy. At first glance, this would seem to fit well with the observation that heteroatoms, which increase the overall dipole moment, also tend to lead to larger binding energies. However, a large dipole moment also implies that the dipoles of the monomers are aligned, which should carry an energy penalty. A more nuanced descriptor for dimers of polar monomers is dipole cancellation, i.e., the extent to which the dipoles of the monomers are opposed and cancel each other out. Dipole cancellation can be calculated by subtracting the dipole of the dimer from the sum of the dipoles of the monomers (keeping in mind the vectorial nature of the dipole moment).