Friday, January 14, 2011

GUI for Descriptor Calculation from USER INPUT SMILES

This Program takes a Smiles string as input and generates corresponding Descriptor Specification and Descriptor Value. It uses cdk1.3.7.jar and cdk-jchempaint-8.jar.




Screeen Shot of the above program

3 comments:

  1. Can you add a screenshot of it in action?

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  2. BTW, isn't the singlular 'a SMILES string'?

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  3. Screen shot has been added and yes the singular is SMILES. :)

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