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Table 11 Descriptions for the Selected Categorical Attributes in Cannabinoid Receptor Subtypes CB1 and CB2 Selectivity Data.

From: Leveraging domain information to restructure biological prediction

  Attribute Class Description
O-058 Atom-centered fragments =O
nDB Constitutional descriptors number of double bonds
F06[C-Cl] 2D frequency fingerprints frequency of C-Cl at topological distance 6
nCconj Functional group counts number of non-aromatic conjugated C(sp2)
C-026 Atom-centered fragments R–CX..R
  1. R represents any group linked through carbon; X represents any electronegative atom (O, N, S, P, Se, halogens); Al and Ar represent aliphatic and aromatic groups, respectively; = represents a double bond; – represents an aromatic bond as in benzene or delocalized bonds such as the N-O bond in a nitro group; .. represents aromatic single bonds as in the C-N bond in pyrrole.