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MolCenters

Molsoft Nodes for KNIME Workbench version 1.0.1.0099 by Molsoft LLC

Performs chemical clustering and selects a specified number of representatives

Options

number of centers
number of representatives to select

Input Ports

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Input Molecules

Output Ports

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Output selected molecules

Views

name of first view
Description of first view...

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install Molsoft Knime Nodes from the following update site:

KNIME 4.3

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Developers

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