Node Connectivity

There are 3029 nodes that can be used as successor for a node with an output port of type Table.

LigPrep 

1D/2D to 3D conversion

QikProp 

ADME prediction

Canvas Molecular Descriptors 

Calculates molecular descriptors.

Maestro Molecular Properties 

Calculate molecular properties for a set of structures.

Canvas Fingerprint Generation 

Generate molecular fingerprints

Generate Pairwise Matrix 

Generate pairwise distance matrix

Generate Pairwise Matrix (2 Inputs) 

Generate pairwise distance matrix from two sets of fingerprints

Similarity Matrix (from Molecules) 

Compute similarity (based on fingerprints)

Dissimilarity Selection (from Matrix) 

Dissimilarity Based Compound Selection

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 […]