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Computer programs COMFA

Computer programs dedicated to QSAR analyses or with a QSAR component have also been used to assist in the development of suitable QSARs for various applications. Using one such package, Samuel et al. were able to generate comparative molecular field analysis (CoMFA) models to predict the cytotoxicity of a series of dibenzyltin(IV) derivatives against two human cancer cell lines, MCF-7, a mammary carcinoma, and WiDr, a colon carcinoma. [Pg.438]

CoMFA is attractive because of its combination of understandable molecular description, statistical analysis, and graphic display of results in a computer program that is unambiguous in its application. Molecules are described with molecular interaction fields similar to those computed by GRID, statistics are computed by and cross-validation, and... [Pg.205]

See other pages where Computer programs COMFA is mentioned: [Pg.168]    [Pg.68]    [Pg.190]    [Pg.59]    [Pg.131]    [Pg.217]    [Pg.591]    [Pg.168]    [Pg.224]    [Pg.233]    [Pg.23]    [Pg.233]    [Pg.330]    [Pg.331]    [Pg.138]    [Pg.168]    [Pg.11]    [Pg.355]    [Pg.466]    [Pg.87]    [Pg.103]    [Pg.334]   
See also in sourсe #XX -- [ Pg.180 , Pg.238 ]



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CoMFA

Computer programming

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