- Type: Table0Data input, needs to contain a molecule column (SMILES, SDF, etc.)
This component allows you to select a subset of molecules based on the input data and molecular properties calculated using the RDKit Descriptor Calculation node. The Interactive View depicts the molecular properties in a parallel coordinates plot, and the molecules' structural formula as tiles. The selected molecules are provided in the component output. Note that columns from the input table will be by default propagated to the parallel ccordinates plot.
- Type: Table0Rows selected in the Interactive View
- Type: Table1Rows not selected in the Interactive View
Used extensions & nodes
Created with KNIME Analytics Platform version 4.2.0 Note: Not all extensions may be displayed.