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Simple Search Node for KNIME Workbench version 2.0.26 by SIA MolPort

MolPort Simple Search Node.

Options

Input parameters for port 'In - SMILES'

Query String
SMILES or MolPort IDto be searched.

Output parameters for port 'Out - Found Compounds'

Query String
SMILES or MolPort ID searched.
Search Type
Chemical search type.
Search Result
Search result.
Search Result Message
Search result message.
Canonical SMILES
Canonical SMILES for found compound in MolPort data repository.
MolPort ID
MolPort ID for found compound in MolPort data repository.
Verified amount (mg)
Verified stock amount in milligrams for found compound in MolPort data repository.
Unverified amount (mg)
Unverified stock amount in milligrams for found compound in MolPort data repository.
Link
Compound MolPort WEB link.

Output parameters for port 'Out - Not Found Compounds'

Query String
SMILES or MolPort ID searched.
Search Type
Chemical search type
Search Result
Search result.
Search Result Message
Search result message.

Input Ports

Data table with SMILES.

Output Ports

Data table with found compounds.
Data table with not found compounds.

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Update Site

To use this node in KNIME, install Simple Search Node for KNIME Workbench from the following update site:

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