The comparison of semiempirical and ab initio molecular modeling methods in activity and property evaluation of selected antimicrobial sulfonamides
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DOI: 10.1007/s00044-019-02334-4
Abstract: A group of sulfonamides exhibiting antimicrobial activity was analyzed with the application of quantitative structure–activity/property relationships method. The purpose of this study was to show the common and differentiating characteristics of the analyzed chemical structures… read more here.
Keywords: molecular modeling; semiempirical initio; activity property; comparison semiempirical ... See more keywords