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Fig. 1 | Malaria Journal

Fig. 1

From: Prioritization of anti-malarial hits from nature: chemo-informatic profiling of natural products with in vitro antiplasmodial activities and currently registered anti-malarial drugs

Fig. 1

KNIME workflow to assess molecular similarity amongst the compound sets. A file containing smiles of the molecules was parsed into the File Reader. The Molecule Type Cast node was used to convert smiles in the file into molecule. The MoSSMCSS node was used for pair-wise comparison of all molecules. The similarity viewer generates heat maps. The molecules comparison is converted to a distance matrix and output as an Excel file with the XLS Writer

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