Fingerprint Similarity Calculator

Manipulator

Calculates similarity fingerprints (Tanimoto) for input molecules in respect to a set of query molecules

Input Ports

  1. Type: Data
    Table containing the query molecules
  2. Type: Data
    Table containing the molecules to be compared

Output Ports

  1. Type: Data
    Table containing the database with Tanimoto similarity score

Extension

This node is part of the extension

LigandScout Extensions for the KNIME Workbench

v1.5.5

Short Link

Drag node into KNIME Analytics Platform