Generic Port — NodePit

There are 5121 nodes that can be used as predessesor for a node with an input port of type

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

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

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

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

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

Picks diverse rows.

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

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

Fragments a set of RDKit molecules

Generates the Murcko scaffold for an input RDKit Mol column

Node Connectivity