Node Connectivity

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

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 […]

Hierarchical Clustering 

Hierarchical Clustering

Substructure Search 

Search a list of target molecules against a set of queries, composed of either molecules or partial structures.

Maximum Common Substructure Search 

Finds maximum common substructure among a given set of molecules.

REOS Filter 

Filter a list of target molecules against REOS rules

Structure Filter 

Filter a list of target molecules against user-defined SMILES/SMARTS expressions.

Principal Components 

Direct Principal Components generation without intermediate analysis

Multi-dimensional Scaling 

Multi-dimensional Scaling

Combine Canvas Fingerprints 

Combines fingerprints for distinct or overlapping sets of molecules.

Concatenate Bitvectors 

Concatenates Bitvectors