Node Connectivity

There are 5196 nodes that can be used as predessesor for a node with an input port of type Generic Port.

Silicos-it executor 

Executes a Silicos-it program

SyGMa Metabolites 

Predict metabolites from parent molecules using Sygma (https://github.com/3D-e-Chem/sygma).

ss-TEA score 

Subfamily specific two entropy analysis score.

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 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.