pub fn pattern_fp(mol: &Molecule) -> BitVec2048Expand description
Compute pattern fingerprint (2048-bit).
Hashes atom-centric patterns: atomic number + neighbor count + bond types. Suitable for fast substructure screening and molecular similarity.
pub fn pattern_fp(mol: &Molecule) -> BitVec2048Compute pattern fingerprint (2048-bit).
Hashes atom-centric patterns: atomic number + neighbor count + bond types. Suitable for fast substructure screening and molecular similarity.