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).
- Type: Data Table containing molecular fingerprints
- Type: Data Table containing reference fingerprints
- Type: Data As input table plus Tanimoto coefficient column
Make sure to have this extension installed: