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QSAR ML Prediction Only 2D Features

Drug DiscoveryDrug DesignCheminformaticsComputer-Aided Drug DesignCADD
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arashsadri profile image
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Dec 2, 2020 1:42 PM
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Used extensions & nodes

Created with KNIME Analytics Platform version 4.2.3
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    Enalos Nodes for KNIME

    NovaMechanics Ltd (www.novamechanics.com)

    Version 1.0.100

    novamechanics
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    Erlwood Knime Open Source Cheminformatics

    Erlwood

    Version 4.0.0

    erlwood_cheminf
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    KNIME Base nodesTrusted extension

    KNIME AG, Zurich, Switzerland

    Versions 4.2.2, 4.2.3

    knime
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    KNIME Chemistry Add-OnsTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.0

    knime
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    KNIME Ensemble Learning WrappersTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.0

    knime
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    KNIME Excel SupportTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.1

    knime
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    KNIME JavasnippetTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.0

    knime
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    KNIME Math Expression (JEP)Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.2

    knime
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    KNIME XGBoost IntegrationTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.0

    knime
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    RDKit KNIME integrationTrusted extension

    NIBR

    Version 4.0.1

    manuelschwarze

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