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A second test set (TS2) was then defined as a 50% subset of TS1 representing the molecules most dissimilar to the training set, with Open Babel [36] used to measure molecular similarity using the default fingerprint.
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To account for 3 1 dominance of nontoxic compounds, each modeling set (≈ 300 molecules) was subjected to a down-sampling procedure [see Supplemental Material (doi 10.1289/ehp.1002476)] that eliminated a fraction of nontoxic molecules most structurally dissimilar from toxic molecules to achieve approximately a balanced ratio of toxic to nontoxic compounds.
Early comparative studies of single rRNA molecules suggested that the Microsporidia are most dissimilar to all other eukaryotes [27], while more recent comparative studies of multiple genes revealed that Microsporidia are most similar to the Fungi [28], [29].
As expected, the randomly generated set was the most distant i.e., most dissimilar, to the other ten data sets with real molecules.
The seed and seedling community were most dissimilar at E3 and only fungicide significantly reduced this dissimilarity.
Bird communities of the clear-cut treatment were most dissimilar to controls.
The artist has a Surrealistic streak, too, especially in his inclination to juxtapose the most dissimilar elements.
Soils had the most dissimilar bacterial assemblages when both were A. sessilis soils, the least dissimilar bacterial assemblages when both were A. philoxeroides soils, and an intermediate assemblage dissimilarity when they were different soils (Figs. 2g, h).
Similarly, assemblage structure was most dissimilar between these two areas, each area harbouring a distinct macrofaunal community.
He discovered that the women were most sexually attracted to the whiff of men whose "major histocompatibility complex" genes were most dissimilar to their own.
The first group is formed by PPV, TEV and TCV, the second group by TRV, TuMV, CaLCuV, and TEV-At17, while TMV appears as the most dissimilar virus.
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