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PubChem Compounds

PubChem Integration version 1.0.1.v201711271611 by Center for Integrative BioInformatics

The PubChem Compound Database contains validated chemical depiction information provided to describe substances in PubChem Substance. Structures stored within PubChem Compounds are pre-clustered and cross-referenced by identity and similarity groups.

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

Options

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

Input Ports

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Table containing the CIDs.

Output Ports

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

Best Friends (Incoming)

Best Friends (Outgoing)

Developers

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