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BARD Search by Structure

BARD Integration version 1.0.1.qualifier by Center for Integrative BioInformatics

Searches for BARD compounds with the given structure.

BARD, the BioAssay Research Database (https://bard.nih.gov/) is a public database and suite of tools developed to provide access to bioassay data produced by the NIH Molecular Libraries Program (MLP).

Options

Structure column
Column containing the structure in SMILES or SMARTS format.

Input Ports

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Table containing the structure.

Output Ports

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Input table with added column containing the CIDs for compounds with the same structure.

Note: List columns can be turned into separate rows using the Ungroup node.

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install de.NBI - CIBI Extension from the following update site:

KNIME 4.2
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Developers

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