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This can be observed when comparing the incidences of the most frequent environments with radius r = 1 and r = 2.
The top-10 most frequent environments (r = 3) in Compound are almost identical to those in Substance.
Superstructures to the non-aromatic environment with radius r = 1 are not in the top-10 most frequent environments with radius r = 2.
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The most frequent environment occurs in 19.5% of all substances and 18.3% of all compounds, respectively.
The di-valent chlorine atom showcased in the eighth most frequent environment exclusively found in Compound was deposited without charge and is modified to erroneously standardize to this atom type.
Fig. 14 Top-10 most frequent atom environments with radius r = 1 in PubChem.
Fig. 23 Top-10 most frequent atom environments with radius r = 3 unique to Substance.
The top-10 most frequent atom environments are presented in Fig. 22.
Most frequent atom environments as described by Adamson et al. [47].
Fig. 20 Top-10 most frequent atom environments with radius r = 2 unique to Substance and Compound, respectively.
The top-10 most frequent atom environments with radius r = 1 in Substance and Compound are presented in Fig. 14.
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