Node Connectivity

There are 5113 nodes that can be used as predessesor for a node with an input port of type Generic Port.

Epik Classic 

pKa prediction

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