General interaction property function

In recent years, we have extended the nature of our analysis to include certain statistically defined features of the surface electrostatic potential. Our purpose has been to expand the capabilities of V(r) for quantitatively describing macroscopic properties that reflect non-covalent molecular interactions. This has led to the development of the General Interaction Properties Function (GIPF), described by Eq. (3.7) ... 

Murray, J. S., T. Brinck, P. Lane, K. Paulsen, and P. Politzer. 1994. Statistically-Based Interaction Indices Derived From Molecular Surface Electrostatic Potentials A General Interaction Properties Function (GIPF). J. Mol. Struct. (Theochem) 307, 55. 

Statistical Characterization of the Molecular Surface Electrostatic Potential - the General Interaction Properties Function (GIPF)... 

Conceptually, we view our approach in terms of a general interaction properties function (GIPF) ... 

This is accordingly a unified approach to representing and predicting condensed phase properties that are determined by noncovalent interactions. We summarize it conceptually as a general interaction properties function (GIPF), Eq. (9) ... 

FIGURE 8. General Interaction Properties Function (GIPF)72, with physical interpretations for the respective computed quantities... 

Murray JS, Politzer P (1994) A General Interaction Properties Function (GIPF) An approach to understanding and predicting molecular interactions, In Murray JS, Politzer P (eds) Quantitative Treatments of Solute/Solvent Interactions. Elsevier, Amsterdam, Ch. 8... 

GIPF (Molecular Electrostatic Potential) Politzer and Murray " developed a general interaction property function (GIPF) based on MEP symbolized... 

GIPF approach ( General Interaction Properties Function approach)... 

A model obtained by applying the GIPF approach General Interaction Properties Function approach) proposed by Politzer and co-workers [Brinck et al., 1993 Murray et al, 1993 Murray et al., 1994] as a general method to estimate physico-chemical properties in terms of -> molecular electrostatic potential (MEP) properties calculated at the -> molecular surface. 

Murray, J.S., Brinck, T, Lane, P Paulsen, K. and Politzer, P. (1994) Statistically-based interaction indices derived from molecular surface electrostatic potentials a general interaction properties function (GIPF)./. Mol. Struct. (Theochem), 307, 55-64. 

Politzer P, Murray JS, Brinck T, Lane P. Analytical representation and prediction of macroscopic properties a general interaction properties function. In Nelson JO, Kara AE, Wong RB, eds. Immunoanalysis of Agrochemicals Emerging Technologies. Washington American Chemical Society, 1995 109-118. 

Table 15 indicates the CWk for the calculation of DCWgao (vk, °EC t). It was reported [65] that the general interaction properties function approach (GIPF), which relies on quantum chemical parameters, was used for developing four-variable QSAR for the anti-HIV-1 potencies. However, the statistic obtained with this technique was R = 0.9300, 5 = 0.597 on the TIBO derivatives, and R = 0.9390, 5 = 0.404 on the HEPT derivatives. In other words, the results are practically equivalent. 

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