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Molecular Surface Area

ChemAxon / InfocomJChemCalculator PluginsGeometryStreamable
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There are two types of available molecular surface area calculations, van der Waals (vdW) and solvent accessible (SA). The calculation method is based on Ferrara et al.

Node details

Input ports
  1. Type: Table
    Data Input
    Input table that contains structure in Structure(Mrv, Sdf, Smiles, etc.) format.
Output ports
  1. Type: Table
    Data Output
    Output table that contains molecular surface area.

Extension

The Molecular Surface Area node is part of this extension:

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