Fingerprint Similarity

Creates a new column containing the minimum, maximum or average Tanimoto similarity coefficient for the fingerprints in the first input table against the second input table. The computations are based on the CDK toolkit. For the minimum and maximum option an additional column is appended to the table containing the row id reference. If the similarity ties, the result will either be returned as pipe-delimited string (string return) or as collection cell (collection return).

Input ports

1. Type: Table
   Fingerprint input
   Table containing molecular fingerprints
2. Type: Table
   Reference input
   Table containing reference fingerprints

Output ports

1. Type: Table
   Input with Tanimoto coefficient
   As input table plus Tanimoto coefficient column