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Due to conserved electrostatic properties across the compounds, models that used only steric and electronic properties did not perform well in predicting biological results.
However, analgesic potencies vary more than 30-fold across the compounds, and in vitro binding affinity does not predict in vivo potency.
Molecular descriptors that did not show variation in values across the compounds were removed.
109 111 Additionally, we will sample surfaces in multiple locations across the compounds to assess fine-scale spatial trends in exposure.
Then we assigned a level of one to four based on the quartile (low high) and summed across the compounds included in each group to obtain an overall score for that chemical group, for each census tract.
This method for summarizing exposure to the 24 MGC was chosen over a simple summation because the range of concentrations among these compounds varied dramatically and because the potency factor for each unit concentration was not assumed to be similar across the compounds.
Similar(54)
He stopped the service and the missionaries retired across the compound to the bigger building.
Plyler then drove her across the compound to Nancy Writebol's house.
Later that day, Altman set off across the compound with Zizi and the dwarf.
Two blankets, one brown, one purple, were taken from the belongings strewn across the compound and laid over the bodies.
Within minutes, prisoners had overpowered and killed a half-dozen guards, and a gun battle spread across the compound.
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