Node Connectivity

There are 5702 nodes that can be used as predessesor for a node with an input port of type Generic Port.

RDKit RMSD Filter Modern UI

Calculates the best RMSD value for different conformers of the same RDKit molecules and filters them based on a threshold value.

Fingerprint Reader (deprecated) Deprecated

Node to read fingerprints from a FPS file into an output table.

RDKit Fingerprint StreamableModern UI

Generates hashed bit-based fingerprints for an input RDKit Mol column.

RDKit Count-Based Fingerprint StreamableModern UI

Generates hashed count-based fingerprints for an input RDKit Mol column.

RDKit Fingerprint Reader Modern UI

Node to read fingerprints from a FPS file into an output table.

RDKit Diversity Picker Modern UI

Picks diverse rows.

RDKit Fingerprint Reader Deprecated

Node to read fingerprints from a FPS file into an output table.

RDKit Molecule Extractor Modern UI

Splits up fragment molecules contained in a single RDKit molecule cell and extracts these molecules into separate cells.

RDKit Molecule Fragmenter Modern UI

Fragments a set of RDKit molecules.

RDKit Find Murcko Scaffolds StreamableModern UI

Generates the Murcko scaffold for an input RDKit Mol column.