Non-covalent interactions are described using the SSIPs. Simple rules of thumb for predicting binding constants for any functional group interaction in any solvent are described, as well as general treatments of molecular properties like partition.

Experimental studies of H-bonded complexes were used to parameterise a computational method for ab initio calculation of H-bond parameters that accurately incorporates the effects of long range secondary electrostatic interactions.

A rule-based approach for assignment of Surface Site Interaction Points (SSIP) based on the chemical structure of a molecule provides a straightforward spreadsheet method for accurate calculation of solvation free energies.