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  • 05_Score_Erosion_for_Multi_Objective_Optimization
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Score erosion for multi objective optimization

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This workflow selects subsets of 100 molecules that are both highly active and diverse at the same time.

Used extensions & nodes

Created with KNIME Analytics Platform version 4.1.0
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    KNIME Base Chemistry Types & Nodes Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.1.0

    KNIME profile image
    knime
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    KNIME Chemistry Add-Ons Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.1.0

    KNIME profile image
    knime
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    KNIME Core Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.1.0

    KNIME profile image
    knime
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    KNIME Math Expression (JEP) Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.1.0

    KNIME profile image
    knime
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    KNIME Optimization extension Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.1.0

    KNIME profile image
    knime
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