RDKit Descriptor Calculation
This node is used for calculating the descriptors for each molecule in the input table. The user has the option to choose which descriptors need to be calculated and the calculated descriptor values for each molecule in the input table are shown in its own column in the output table.
- Type: Data Table containing RDKit Molecules.
- Type: Data Table containing calculated descriptor values.
Community Nodes > RDKit > Calculators
Make sure to have this extension installed:
RDKit KNIME integration
Update site for KNIME Analytics Platform 3.7:
KNIME Community Contributions (3.7)