Diversity Picker

The Diversity Picker node finds the most diverse molecules from the input table (fingerprint selection).

Options

Settings

Algorithm
Choose the algorithm to perform the selection.
(Default: deterministic)
Fingerprint Property
Select the fingerprint property to use for the selection of the molecules.
Num. of Molecules
Select the number of molecules to pick.
(Default: 10)

Input Ports

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Table containing the molecules with a fingerprint property

Output Ports

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Table containing the picked molecules

Views

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Workflows

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Links

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