Grouping Chemicals Automatically

Sifting millions of #chemical structures can be hard. Ricardo Scheufen Tieghi, José T. Moreira-Filho & Kamel Mansouri showcase a #KNIME workflow for #chemical grouping using #clustering, #classification and enriched with #GenAI summaries, all wrapped in a use-friendly data app—making cheminformatics accessible to researches with ease.

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