This topic came up at our Learnathon in Cambridge this week and I learned that there were some unanswered questions on the Forum about how to get molecule images into Excel.
Getting an Excel spreadsheet with a column containing PNGs with molecule images is actually pretty straightforward using the “Renderer to Image” node which is part of KNIME’s SVG support.
The attached workflow shows how to do this using the Marvin renderer for an SDF column (can also be used for SMILES columns) and the RDKit renderer for an RDKit molecule column. Notice that the RDKit molecule itself ends up in the Excel file as a SMILES.
Mols to Excel.knwf (72.8 KB)