There are 5518 nodes that can be used as predessesor
for a node with an input port of type Generic Port.
Extract points from pharmacophore
Merge pharmacophore points to pharmacophores
Generate pharmacophore from molecule
Read align-it pharmacophore files
Generate molecule from pharmacophore
Executes a Silicos-it program
Predict metabolites from parent molecules using Sygma (https://github.com/3D-e-Chem/sygma).
Subfamily specific two entropy analysis score.
CIR (Chemical Identifier Resolver) uses the network service by the CADD Group at the NCI/NIH as a resolver for different chemical structure identifiers […]
Integrates the CDK 3D Model Builder to calculate 3D coordinates for CDK molecules.