pub fn map4(mol: &Molecule, config: &Map4Config) -> Vec<u32>Expand description
Compute the MAP4 fingerprint as a MinHash signature vector.
Returns a Vec<u32> of length config.n_permutations. Two molecules
with Jaccard similarity J have expected Hamming similarity J over this vector.
Tanimoto similarity can be estimated as:
(matching_positions as f64) / config.n_permutations as f64