Fingerprint Based Tools

This category contains 7 nodes.

Canvas Fingerprint Generation 

Generate molecular fingerprints

Dissimilarity Selection (from Matrix) 

Dissimilarity Based Compound Selection

Generate Pairwise Matrix 

Generate pairwise distance matrix

Generate Pairwise Matrix (2 Inputs) 

Generate pairwise distance matrix from two sets of fingerprints

Hierarchical Clustering 

Hierarchical Clustering

Hierarchical Clustering Report 

Reports details for each level of hierarchical clustering based on a pairwise distance matrix. The output table can be used to determine what level […]

Similarity Matrix (from Molecules) 

Compute similarity (based on fingerprints)