Comparative molecular moment analysis CoMMA

Silverman, B. D. and Platt, D. E. (1996) Comparative molecular moment analysis (CoMMA) 3D-QSAR without molecular superposition. J. Med. Chem. 39, 2129-2140. 

Silverman, B.D., Platt, D.E., Pitman, M. and Rigoutsos, I. (1998b). Comparative Molecular Moment Analysis (CoMMA). In 3D QSAR in Drug Design - Vol. 3 (Kubinyi, H., Folkers, G. and Martin, Y.C., eds.), Kluwer/ESCQM, Dordrecht (The Netherlands), pp. 183-198. 

Silverman, B.D. (2000a) The thirty-one benchmark steroids revisited comparative molecular moment analysis (CoMMA) with principal component regression. Quant. Struct. -Act. Relat., 19, 237-246. 

Further additions to the 3D-QSAR arsenal include comparative molecular similarity indices analysis (CoMSIA) [15], 4D-QSAR [16], COMPASS [17], receptor surface models [18], the pseudoreceptor approach [19], ComPharm [20], and comparative molecular surface analysis (CoMSA) [21], 3-D-invariant, alignment-free descriptor systems such as comparative molecular moment analysis (CoMMA) [22], EVA [23], WHIM [24], and ALMOND [25], have also become available. A survey of the 3D-QSAR literature reveals 1154 entries in the Chemical Abstracts Plus database of these, 79% are journal publications, 19% are conference proceedings, and four are patents related to, or using, 3D-QSAR models. As the number of potential targets amenable to drug discovery is increasing exponentially, it is likely that 3D-QSAR models and methodologies will continue to be developed in the next decade. 

Silverman DB, Platt DE, Pitman M, Rigoutsos I. Comparative molecular moment analysis (CoMMA). In Kubinyi H, Folkers G, Martin YC, eds. 3D QSAR in Drug Design. Vol. 3. Recent Advances. Dordrecht Kluwer/ESCOM, 1998 183-196. 

Silverman BD, Platt DE (1996) Comparative molecular moment analysis (CoMMA) 3D-... 

The reader will appreciate that the problem of molecular superposition is a difficulty with many 3D-QSAR methods. The comparative molecular moment analysis (CoMMA) method overcomes this obstacle by calculating descriptors based on the 3D structures without reference to a common orientation frame. ... 

B. D. Silverman and D. E. Platt,/. Med. Chem., 39, 2129 (1996). Comparative Molecular Moment Analysis (CoMMA)—3D-QSAR Without Molecular Superposition. 

Comma descriptors comparative molecular moment analysis... 

---