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PubChem Substances

PubChem Integration version 1.0.1.v201711271611 by Center for Integrative BioInformatics

The PubChem Substance Database contains descriptions of samples, from a variety of sources, and links to biological screening results that are available in PubChem BioAssay. If the chemical contents of a sample are known, the description includes links to PubChem Compound.

This node gets substance structures based on the given SIDs. It is using the Power User Gateway. More information about a substance can be found on the PubChem website.

Options

SID column
Column containing the SIDs.
Format
The format of the structure. SDF (containing additional properties) or Smiles.

Input Ports

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Table containing the SIDs.

Output Ports

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Input table with the structure of the substances in the selected format.

Best Friends (Incoming)

Best Friends (Outgoing)

Developers

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