PubChem Compounds

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

Icon
Table containing the CIDs.

Output Ports

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

Views

This node has no views

Workflows

  • No workflows found

Links

Developers

You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.