Table — NodePit

There are 2897 nodes that can be used as successor for a node with an output 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 write fingerprints from an input table to a FPS file.

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

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

Node to write fingerprints from an input table to an FPS file.

Picks diverse rows.

Node to write fingerprints from an input table to an FPS file.

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