GraphSim TK supports several built-in similarity coefficients (Cosine, Dice, Euclidean, Manhattan, Tanimoto, Tversky), while user-defined similarity measures are also available.
Apart from generating and storing fingerprints, GraphSim TK also provides a fingerprint database that is designed to perform rapid in-memory fingerprint search utilizing any of the built-in or user-defined similarity measures.
GraphSim TK also provides access to the common fragments found between two molecules based on the given fingerprint type.
This data can be used to visualize the similarity of two molecules based on their fingerprints. The fingerprint overlap, depicted in 2D, provides insight into molecule similarity beyond a single numerical score and reveals information about the underlying fingerprint method.
For more detailed information on GraphSim TK, check out the link below: