Abstract:Quantitative molecular similarity analysis (QMSA) is a seemingly useful tool for estimating environmental properties for the hundreds of emerging contaminants that have not yet been fully evaluated. Moreover, calibrated QMSA models are also useful for prioritizing research among currently unmeasured chemicals of interest. Previous work has demonstrated that prioritization based on molecular 'representativeness', as parameterized using summed Euclidean distances in n dimensions corresponding to n molecular desc… Show more
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