Picks diverse rows from an input table based on tanimoto distance between fingerprints. The picking is done using the MaxMin algorithm (Ashton, M. et. al., Quant. Struct.-Act. Relat., 21 (2002), 598-604). The algorithm is quite fast, even for large datasets, but note that runtime increases rapidly with the number of rows to be picked.
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01_ClusteringKNIME Hub- 02_Select_Followup_CompoundsKNIME Hub
- 02_Select_Followup_CompoundsKNIME Hub
- 3.3_ChemicalSpaceKNIME Hub
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