Class TPSAPlugin

All Implemented Interfaces:
TaggedCalculator, chemaxon.license.Licensable

@PublicAPI public class TPSAPlugin extends MajorMicrospeciesAccessorPlugin
Plugin class for TPSA (topological polar surface area) calculation.


  1. Ertl, P., Rohde, B., Selzer, P., J. Med. Chem., 2000, 43, pp. 3714-3717

API usage example:

    // read input molecule
    MolImporter mi = new MolImporter("test.mol");
    Molecule mol =;

    // create plugin
    TPSAPlugin plugin = new TPSAPlugin();

    // optional: take major microspecies at pH=7.4

    // set target molecule

    // run the calculation;

    // get result
    double area = plugin.getSurfaceArea();

    // print result
    System.out.println("Polar surface area (pH=7.4): "+area);

For concurrent plugin example applications using ChemAxon's concurrent framework, refer to the Concurrent plugin examples.