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Database Analysis

Cheminformatics Canvas
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Assess the coverage of a database from the distribution of the distance to the nearest neighbor of each molecule in the database. List the three most similar compounds for each compound in the database. [Requires: Canvas]

Used extensions & nodes

Created with KNIME Analytics Platform version 4.1.0
  • KNIME Core Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 3.7.1

    knime
  • KNIME JFreeChart Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 3.7.0

    knime
  • KNIME Math Expression (JEP) Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 3.7.0

    knime
  • KNIME Quick Forms Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 3.7.1

    knime
  • Schrödinger Extensions for KNIME Trusted extension

    Schrödinger

    Version 19.4.7

    Schroedinger profile image
    schroedinger
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