RDKit Salt Stripper

Manipulator

This node is used for removing salts from RDKit molecules and display the salt stripped molecules in an additional column in the output table. The user can optionally input salt definitions into the node. If no salt definition table is provided by the user then the default salt definitions will be applied.

Input Ports

  1. Type: Data Table having at least one RDKit molecule type column containing RDKit molecules for stripping.
  2. Type: Data Table containing RDKit molecules as salt definitions (generated usually from SMARTS). This table is optional.

Output Ports

  1. Type: Data Table containing the column with salt stripped RDKit molecules.

Find here

Community Nodes > RDKit > Modifiers

Make sure to have this extension installed:

RDKit KNIME integration

Update site for KNIME Analytics Platform 3.7:
KNIME Community Contributions (3.7)

How to install extensions