Mutagenicity CoMFA

M. Fan et al., Comparison of CoMFA models for Salmonella typhimurium TA98, TA100, TA98+S9 and TA100+S9 mutagenicity of nitroaromatics. SAR QSAR Environ. Res. 9, 187-215 (1998)... 

Navajas, C., Poso, A., Ihppurainen, K. and Gynther, J. (1996). Comparative Molecular Field Analysis (CoMFA) of MX Compounds Using Different Semiempirical Methods. LUMO Field and Its Correlation with Mutagenic Activity. Quant.Struct.-Act.Relat., 15,189-193. 

Results from CoMFA studies have been compared with those from Hansch analyses [38, 1019 — 1023] and the minimal topological difference (MTD) method [1024]. Examples for the comparison of Hansch equations with CoMFA studies are e.g. the papain hydrolysis of N-(X-benzoyl)glycine pyridyl esters (60) (eqs. 204, 205 Zn = PLS component n of the corresponding field compare chapter 7.1) [1019, 1020], the emulsin-catalyzed hydrolysis of phenyl-P-D-glucosides [1020], the mutagenic activities of substituted (o-phenylenediamine)platinum dichlorides [1020], dihydrofolate reductase (DHFR) inhibition [1020], and some other biological activities [38, 1021—1023]. 

---