The score erosion algorithm is used to select a subset of compounds that have the highest value in the selected column and are as diverse as possible.
[22.2.0]
See details in https://kni.me/w/iQjJdw8fmCrW8xOd
Workflow
Biased diversity selection
Used extensions & nodes
Created with KNIME Analytics Platform version 4.5.1 Note: Not all extensions may be displayed.
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KNIME AG, Zurich, Switzerland
Version 4.5.0
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KNIME AG, Zurich, Switzerland
Version 4.5.1
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KNIME AG, Zurich, Switzerland
Version 4.5.0
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KNIME AG, Zurich, Switzerland
Version 4.5.0
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KNIME AG, Zurich, Switzerland
Versions 4.3.2, 4.5.0
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NIBR
Version 4.5.0
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Schrödinger
Versions 22.2.107, 22.4.75, 22.4.82
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