Fast Tanimoto2

Compares molecule fingerprints of a test set and lists identifiers of molecules having scores larger than a preset threshold in the reference set.

Input ports

1. Type: Table
   Molecules
   Table with string columns for molecule identifier and a BitVector fingerprint column, for the test set
2. Type: Table
   MoleculesToCompareTo
   Table with string columns for molecule identifier and a BitVector fingerprint column, for the reference set

Output ports

1. Type: Table
   Molecules with similarities
   Input table with attached tanimoto.id (a copy of the string identifiers of the molecule compared), tanimoto.similars (list of identifiers of molecules with a tanimoto similarity higher than the threshold), tanimoto.coefficients (the corresponding tanimito similarities of those molecules), tanimoto.num.similars (the number of similar molecules found)