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The feature definition lists the set of non-hydrogen atoms that comprise a given fictitious feature atom.
Fictitious "feature" atoms (also known as "color" atoms) are defined to represent the pharmacophore feature functional group types present in a chemical structure.
If none of the fictitious "feature" atoms used in the CT score are proximate, it will result in a zero or near-zero CT score.
Fictitious feature atoms are relatively sparse, have small atomic radii, and are often close to the periphery of the chemical structure.
where, the index "f" indicates any of the six independent fictitious feature atom types, and are the self-overlap volumes for feature atom type f and is the overlap volume of conformers A and B for feature atom type f.
where: the index "f" indicates any of the six independent fictitious feature atom types; V AA f and V BB f are the self-overlap volumes of conformers A and B for feature atom type f, respectively; and V AB f is the overlap volume between conformers A and B for feature atom type f.
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