Abstract
AbstractThe CASE (computer automated structure evaluation) structure‐activity relational expert system was used to analyze the toxicity of a database of chemical sets to environmental bacteria (aerobic heterotrophs, nitrosomonas, methanogens, and photobacteria [Microtox® test]). The analyses revealed that the data sets related to each of the antimicrobial activities, albeit containing a relatively small number of chemicals, are characterized by structural determinants significantly associated with the probability of antimicrobial activity, as well as with antibacterial potency. Although there were a number of similarities among the structural determinants associated with each of these antimicrobial activities, there were also features unique to each assay that presumably reflect species‐specific targets of bactericidal activity. Overall the assay for antimethanogenic activity appears to be the most informative as well as the one most predictive of the activity in the other three assays.
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