Mass Scalar Descriptor

Implements Mass (total mass of molecule) value as a scalar descriptor. Is like molecular weight but it is actually mass, so we should call it mass and not weight.

Options

Filename
The path to the configuration XML file.
Structure column
The structure column.

Input Ports

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Input table that contains structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Output Ports

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Output table that contains Mass scalar descriptor.

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