Based on Potential Fields

Autocorrelation coefficients are also calculated on the basis of three-dimensional molecular interaction fields (e.g., MIP, CoMFA field or CoMSIA field). These fields are generated by mapping of atom properties to the spatial neighborhood of the molecule [23]. Distances between grid points located in the space around the molecules are used as input for the autocorrelation algorithm. 

Because potential fields describe the pharmacophore of a molecule rather than its topology, they are appHcable to sets of molecules with diverse chemical scaffolds. 

The invariance to translation and rotation is achieved by integration over aU five independent modes of motion (i. e., translational movement in the x, y or z directions and rotation around two independent axes). The autocorrelation coefficient F(r) is calculated from all pairs of points x and y with a distance of r and the properties/(x) or f(y)  

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