CoMSIA approach

One can notice that the performance of CMF is closer to that of the CoMSIA approach in comparison with CoMFA. This could be attributed to the fact that the mathematical form of Eq. (13.5) resembles expressions for similarity indices in CoMSIA. So, in spite of absolutely different underlying ideas, CbMSIA can formally be regarded as a discretized approximation of the current version of CMF, or, vice versa, CMF—as a continuous functional extension of CoMSIA. Therefore, the difference between the models produced by these methods might result from the effect of field discretization, different statistical procedure and parameterization of molecular fields. 

The steric contribution contour maps of CoMFA and CoMSIA are plotted in Figs. 7 2a and 7.3a, respectively. To aid visualization, the most herbicidally active compound IH-18 is displayed in the maps. The CoMSIA approach provided more contiguous contour diagrams, which allowed physicochemical properties relevant... 

Khanfar, M.A., Youssef, D.T.A., and El Sayed, K.A. (2010) 3D-QSAR studies of latrunculin-based actin polymerization inhibitors using CoMFA and CoMSIA approaches. Bur. J. Med. Chem., 45, 3662-368. 

Pearlstein RA, Vaz Rl, Kang J, Chen X-L, Preobrazhenskaya M, Shchekotikhin AE et al. Characterisation of HERG Potassium channel inhibition using COMSiA 3D QSAR and homology modeling approaches. Bioorg Med Chem Lett 2003 13 1829-35. 

Lysenkova, L.N., Miroshnikova, O.V., Hendrix, J., and Rampe, D. Characterization of H ERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches. Bioorg. Med. Chem. Lett. 2003, 13, 1829-1835. 

Bringmann G, Rummey C (2003) 3D QSAR investigations on antimalarial naphthylisoqui-noline alkaloids by comparative molecular similarity indices analysis (CoMSIA), based on different alignment approaches. J Chem Inf Comput Sci 43(1) 304-316... 

The most popular grid-based QSAR techniques are - GRID method and -> CoMFA a number of related techniques has also been proposed such as - CoMSIA, - Voronoi Molecular Field Analysis, -> hydration free energy density, and the approach based on - G-WHIM descriptors. 

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