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Dashed gray lines indicate the prevalence of activity and random picking of compounds.
The pTG of 0.488 in the selected subset signified that each compound in this subset has an average probability gain of 0.488 of being active over the random picking of compounds.
Similar(58)
An experiment was thus conducted by selecting 100 randomly picked sets of compounds with the same molecular weight distribution (each to the nearest whole MW value) to the synthetic biology set from an internal database containing over 20 million commercially available compounds.
This is particularly true when one wishes to select a complete library rather than to cherry pick a set of compounds from multiple libraries.
A new set of criteria to judge whether a chemical is likely to cause cancer in humans will get a trial run later this month when a select group of federal scientists will pick a handful of compounds to undergo a battery of tests.
All tested classifiers faced the problem of correct classification of compounds picked up from the ZINC database when they were trained on sets with inactives selected according to different approaches (from MDDR database or DUD libraries).
The researchers then treated mouse cells with thousands of compounds and picked out the ones that made the cells glow.
Groundwater moving through sedimentary rocks and soils may pick up a wide range of compounds, such as magnesium, calcium, and chloride, arsenate, fluoride, nitrate, and iron; thus, the effect of these natural contaminations depends on their types and concentrations.
Based on the outcome of this screening, a small subset of compounds, usually no more than a few hundreds, are cherry picked and subjected to confirmatory testing where compounds are analyzed at a series of concentrations.
Flavor, she added, comes from a variety of compounds that include sugars and essential oils, and "if it's picked ripe, the flavor will be there as well".
He started the site with a modest $3 million investment from Fuse Capital and Forbes Media, picking its name off a list of compound words that were made up by a Web developer.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com