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Workflow 2

Input the LM-ID of any interested lipid(s) in Table Creator node. GET Request node queries the Lipid Maps URL(s). Chemical and physical properties are calculated by the RDKit descriptor Calculation node.

List of lipids to fetchCreate query URLTable look Convert smile string value to smile fileConvert the JSONfile to .table Aquire data from the LMSD URL(s)Filter out columnsurl, status, content type,input, and puplicate lm_idCalculate lipidproperties from smileTable Creator String Manipulation Table View Molecule Type Cast JSON to Table GET Request Column Filter RDKit DescriptorCalculation List of lipids to fetchCreate query URLTable look Convert smile string value to smile fileConvert the JSONfile to .table Aquire data from the LMSD URL(s)Filter out columnsurl, status, content type,input, and puplicate lm_idCalculate lipidproperties from smileTable Creator String Manipulation Table View Molecule Type Cast JSON to Table GET Request Column Filter RDKit DescriptorCalculation

Nodes

Extensions

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
Created by: coral
Created at: 2021-07-26
On NodePit since: 2021-08-04
Last update: 2024-05-02
Created with KNIME version: v4.3.3

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