Class PropertyCalculator


  • public class PropertyCalculator
    extends java.lang.Object
    • Constructor Detail

      • PropertyCalculator

        public PropertyCalculator​(StereoMolecule mol)
    • Method Detail

      • getAcceptorCount

        public int getAcceptorCount()
      • getDonorCount

        public int getDonorCount()
      • getLogP

        public double getLogP()
      • getLogS

        public double getLogS()
      • getPolarSurfaceArea

        public double getPolarSurfaceArea()
      • getRotatableBondCount

        public int getRotatableBondCount()
      • getStereoCenterCount

        public int getStereoCenterCount()