and also feature keys ) were designed to act
as filters in substructure and superstructure searches.
•If molecule A
is a substructure of molecule B, all the patterns
that exist in the fingerprint of molecule A must be present in the fingerprint of molecule B.
fingerprint, created as described, all parts of the molecule are treated equally.Aliphatic carbon has the same weight
as aromatic arsenic.
folding paradigm works well for filtering, in a similarity search the value is directional ( more later )