Fingerprint Based Tools

This category contains 7 nodes.

IconCanvas Fingerprint Generation Source

Generate molecular fingerprints

IconDissimilarity Selection (from Matrix) Source

Dissimilarity Based Compound Selection

IconGenerate Pairwise Matrix Source

Generate pairwise distance matrix

IconGenerate Pairwise Matrix (2 Inputs) Source

Generate pairwise distance matrix from two sets of fingerprints

IconHierarchical Clustering Source

Hierarchical Clustering

IconHierarchical Clustering Report Source

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

IconSimilarity Matrix (from Molecules) Source

Compute similarity (based on fingerprints)