The molecular structures of 83 diverse organic compounds are correlated by a quantitative structure-activity relationship (QSAR) to their minimum inhibitor concentrations (MIC expressed as log(1/MIC)), involving 6 descriptors with R(2)=0.788, F=47.140, s(2)=0.130. A novel QSAR development technique is utilized combining advantages of the two frequently applied methods. The topological, electronic, geometrical, and hybrid type descriptors for the compounds were calculated by CODESSA PRO software.
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| http://dx.doi.org/10.1016/j.bmc.2008.05.014 | DOI Listing |
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