Abstract
The structural determinants associated with inhibition of bacterial growth (Microtox assay), as well as those associated with other toxicological activities, were identified using the CASE/Multi-CASE structure-activity relational system. CASE/Multi-CASE also possesses the ability to compare structural determinants associated with different biological phenomena. The extent of the homology between structural determinants can be used to evaluate common mechanisms of action. Using this approach, significant commonalities between structural determinants associated with the Microtox assay and those associated with toxicity to mammals and fish were found, suggesting that there may be a mechanistic relationship between these toxicological activities. The findings indicate that, within these structural similarities, the Microtox assay can be used as an indicator of potential toxicity to mammals and fish.
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