Quantitative CoMSiA

Ducrot, P., Andrianjara, C.R. and Wrigglesworth, R. (2001) CoMFA and CoMSIA ID-quantitative structure-activity relationship model on benzodiazepine derivatives, inhibitors of phosphodiesterase. IV. 1. Comput. Aid. Mol. Des., 15, 767-785. 

Liu, X., Yang, Z. and Wang, L.-S. (2003) Three-dimensional quantitative structure-activity relationship study for phenylsulfonyl carboxylates using CoMFA and CoMSIA. Chemosphere, 53, 945-952. 

Despite the straightforward definition of CoMFA, there are a number of serious problems and possible pitfalls. Several CoMFA modifications have been described which solve or avoid some of these problems (Section 7). In addition, alternatives to CoMFA were developed, e.g., comparative molecular similarity indices analysis (CoMSIA) (Section 5) and other 3D quantitative similarity-activity relationship (QSiAR) methods. " ... 

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