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These data provide test cases for machine learning or other approaches to differentiate between compounds with overlapping yet distinct activity profiles.
To this extent the linear combination of SVM models is capable to rank compounds with overlapping activity profiles of t n targets in a way that compounds with a certain profile receive a better rank than compounds that do not match a specific profile.
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For compounds with signals overlapping with the 0.9 ppm signal (for example, well A10 and G10 signals in Figure 3), methyl H signals around 1.1 and 2.9 ppm area can be examined for further validation (Supporting Information, Figure S1).
Transporters can be highly promiscuous with overlapping compound recognition patterns.
They're filled with overlapping dialogue.
The dermis is covered with overlapping scales.
For the subsets in columns 2 and 3 the patent: journal ratio is 2.28 1 with just under 6% of patent compounds overlapping with those appearing in journals, presumably subsequent to the patent publication, although some could be non-proprietary bench-marking compounds.
The calculated logD values in the ChEMBL dataset show Gram-positive and Gram-negative active compounds having overlapping clogD ranges, with the Gram-positives having the higher mean and a slightly smaller standard deviation (3.1 ± 2.5 vs. 2.0 ± 3.4, respectively).
The compounds overlapping with any of these four sets were removed from the PATENTS set.
There has been interest in the health effects of environmental tobacco smoke (ETS), which contains >4000 chemical compounds that partly overlap with compounds inhaled in active smoke [ 3].
The repeat counts are hotlinked to the information page where frequency of mono hexa repeats, perfect, imperfect, compound, overlapping compound [overlap of few bases of previous SSR with next SSR, e.g. (ACC n CT n] and perfect compound SSRs are displayed.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com