Can NameToStructure of JChem use on KNIME??

#1

Can NameToStructure of JChem use on KNIME??
I install JChem on KNIME, but my Node Repository doesn’t have the node “NameToStructure”!!
Who can help me??

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#2

Dear Wendy,

You can use "NameToStructure" by using the following node.

+ JChem
    + Converter
    |---- MrvConverter

This node can convert structures from String type to Marvin type.
The format of structures is recognized automatically in case of the format supported by ChemAxon.
Therefore, the Name format is also convertible.

If you have the list of the name as a file, MolImporter can be used.

+ JChem
    + IO
    |---- MolImporter

Best regards,
Taka
 

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#3

Dear Taka,
Thank you very much!!

 

Wendy

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