Node Connectivity

There are 2933 nodes that can be used as successor for a node with an output port of type Table.

CIR 

CIR (Chemical Identifier Resolver) uses the network service by the CADD Group at the NCI/NIH as a resolver for different chemical structure identifiers […]

3D Coordinates 

Integrates the CDK 3D Model Builder to calculate 3D coordinates for CDK molecules.

3D D-Moments 

Node to evaluate the 3D similarity between two specified molecules as well as generate the 12 descriptors used to characterize the 3D structure.

3D D-Similarity 

Node to evaluate the 3D similarity between two specified molecules.

3D RMSD 

Calculates the RMSD between different conformers

3D Viewer 

3D Molecular Viewer using Jmol.

3D WHIM 

Holistic descriptors described by Todeschini et al. The descriptors are based on a number of atom weightings. There are 5 different possible weightings […]

Tautomer Generator 

Tautomer generator for CDK molecules.

CDK to Molecule 

Converts CDK molecules into various string representations

Molecule to CDK 

Translates various string representations into a specialised CDK type for further processing in CDK based nodes.