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The chemicals were classified into carcinogens (58) and non-carcinogens (62) on the basis of published experimental data, and into 1 of 4 broad chemical classes.
These points indicate areas for future research, specifically performing more extensive ADME analyses, consulting other cell-based assays for target validation and further expansion of the assay set, and identifying bioactivity signatures of broad chemical classes for which we could then query the toxicological space.
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1,3-Dichloro-2-propanol (DCP) is a member of the broad chemical class halohydrins.
Phthalates represent a broad chemical class that includes both low-molecular-weight (LMW) compounds such as diethyl phthalate (DEP) and relatively high-molecular-weight (HMW) compounds such as diethylhexyl phthalate (DEHP) and butylbenzyl phthalate (BBzP).
A structurally diverse array of xenobiotics was chosen (Table 1) to represent a broad spectrum of chemical classes and applications that published data indicate are of considerable environmental and/or health concern.
As shown in Table 1, the screening library represented a diverse collection of bioactive compounds composed of multiple chemical classes containing a broad array of functionality.
Many questions (e.g., the questions involving NERs, mixture interactions, and extrapolation of results on molecular and cellular effects to ecologically relevant end points) are not unique to PPCPs, so it may be appropriate to address these in broader research programs looking at other chemical classes.
This broad range of activity is not seen universally across chemical classes.
Interestingly, all class correlations exhibit similar slopes (ca. 1), suggesting that the factors which give rise to the cross-sectional differences between helium and nitrogen (buffer gas size, mass, and polarizability) affect different chemical classes in a similar manner across a broad range of both size and mass.
Thus, it may also be deduced that the higher the diversity and the quantity of these chemical classes a plant may contain, the stronger and broader the spectrum of biological activities the plant molecules may exhibit [ 36].
Using a broad range of analytical methods for chemical profiling will expand the detectable range of chemical classes used in communication.
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