Fingerprint Similarity

Computes the bit vector similarity of one or multiple query fingerprints to a set of data fingerprints. If multiple queries should be used the respective checkbox should be ticked and an appropriate fusion method selected.

Options

Query column

Column in the first input table containing the query fingerprints (must be of type DenseBitVector)

Data column

Column in the second input table containing the data fingerprints (must be of type DenseBitVector)

Similarity measure

The similarity method that should be used

Multi-query fusion

Tick the box if the similarities to all available queries should be combined into a single fused similarity. If the box is not checked only the first query is considered.

Fusion method

Mathematical approach to combine multiple similarities into one similarity score

Views

This node has no views

Workflows

• Docking Pose ClusteringKNIME Forum
• Docking Pose Clustering v2KNIME Forum
• Docking Pose Clustering v3KNIME Hub
• EUbOPEN CGL GPCR Ligand SelectorKNIME Hub
• EUbOPEN CGL IC Ligand SelectorKNIME Hub
• Show all 9 workflows

Links

• No links available

Developers