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Unique molecule titles

Ensure Molecule Title Uniqueness

Ensure unique molecule titles (using the KNIME RowID or the Schrödinger dedicated node). This is useful in the context of Canvas.

[Requires: Maestro, Canvas]

Ensure Molecule Title Uniqueness: Ensure unique molecule titles (using the KNIME RowID or the Schrödinger dedicated node). This is useful in the context of Canvas.[Requires: Maestro, Canvas]TitleSet of ligands with duplicate titles%file%This node requires unique molecule titlesA dedicated node is now availableEnsure uniquenessTitle from row ID %file%Extract Properties Molecule Reader(to MAE) Similarity Matrix(from Molecules) Set Molecule Title Unique Title Check RowID RowID CSV Writer Ensure Molecule Title Uniqueness: Ensure unique molecule titles (using the KNIME RowID or the Schrödinger dedicated node). This is useful in the context of Canvas.[Requires: Maestro, Canvas]TitleSet of ligands with duplicate titles%file%This node requires unique molecule titlesA dedicated node is now availableEnsure uniquenessTitle from row ID %file%Extract Properties Molecule Reader(to MAE) Similarity Matrix(from Molecules) Set Molecule Title Unique Title Check RowID RowID CSV Writer

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Download

To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
On NodePit since: 2020-02-17
Last update: 2020-02-26
Created with KNIME version: v4.1.0
Tags: GeneralMaestroCanvas

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