Quantitative structure-activity applications with interactions

Environmental impact may occur upon interactions of chemicals with their environmental counterparts due to intermolecular forces the resulting effects depend on the structure and conformation of both reactants. Quantitative structure-activity relationships (QSARs) are used to recognize and utilize the systematic relationships between the principal properties of the chemicals and their biological, ecotoxicological and pharmacological activity. The principle of QSARs consists of relating the activities observed for a series of chemicals to a set of theoretical parameters, which are assumed to describe the relevant properties of their structures quantitatively. Derivation and application of QSARs hence requires three essential prerequisites ... 

Hydrophobic interaction chromatography (HIC) is a mode of separation in which molecules in a high-salt environment interact hydrophobically with a nonpolar bonded phase. HIC has been predominantly used to analyze proteins, nucleic acids, and other biological macromolecules by a hydrophobic mechanism when maintenanee of the three-dimensional structure is a primary eoneern [1-4]. The main applications of HIC have been in the area of protein purification because the reeovery is frequently quantitative in terms of both mass and biological activity. 

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