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QSAR ML Prediction Only 2D Features

Drug Discovery Drug Design Cheminformatics Computer-Aided Drug Design CADD
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Used extensions & nodes

Created with KNIME Analytics Platform version 4.2.3
  • Enalos Nodes for KNIME

    NovaMechanics Ltd (www.novamechanics.com)

    Version 1.0.100

    novamechanics
  • Erlwood Knime Open Source Cheminformatics Trusted extension

    Erlwood

    Version 4.0.0

    erlwood_cheminf
  • KNIME Base nodes Trusted extension

    KNIME AG, Zurich, Switzerland

    Versions 4.2.2, 4.2.3

    knime
  • KNIME Chemistry Add-Ons Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.0

    knime
  • KNIME Ensemble Learning Wrappers Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.0

    knime
  • KNIME Excel Support Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.1

    knime
  • KNIME Javasnippet Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.0

    knime
  • KNIME Math Expression (JEP) Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.2

    knime
  • KNIME XGBoost Integration Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.0

    knime
  • RDKit KNIME integration Trusted extension

    NIBR

    Version 4.0.1

    manuelschwarze
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