Node Connectivity

There are 5406 nodes that can be used as predessesor for a node with an input port of type Generic Port.

Pharmacophore reader 

Read align-it pharmacophore files

Pharmacophore to molecule 

Generate molecule from pharmacophore

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