Molecular Properties Filter

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.

Input ports

1. Type: Table
   0
   Data input, needs to contain a molecule column (SMILES, SDF, etc.)

Output ports

1. Type: Table
   0
   Rows selected in the Interactive View
2. Type: Table
   1
   Rows not selected in the Interactive View