Package qsardes.descriptor.qsarwb

Class QsarWBMlfer

java.lang.Object

qsardes.descriptor.DescriptorMlfer

qsardes.descriptor.qsarwb.QsarWBMlfer

All Implemented Interfaces:

Descriptor

public final class QsarWBMlfer
extends DescriptorMlfer

Molecular linear free energy relation descriptors (QSAR-WB Descriptors).

Calculates molecular linear free energy relation (MLFER) descriptors.

Returns

MLFER_A - Overall or summation solute hydrogen bond acidity.
MLFER_E - Excess molar refraction.
MLFER_S - Combined dipolarity/polarizability.
MLFER_BH - Overall or summation solute hydrogen bond basicity.
MLFER_BO - Overall or summation solute hydrogen bond basicity.
MLFER_L - Solute gas-hexadecane partition coefficient.

Constructor Summary

Constructors

Constructor	Description
QsarWBMlfer()

Method Summary

Methods inherited from class qsardes.descriptor.DescriptorMlfer

get_descriptor_names, get_descriptor_type, get_descriptor_values, toString

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

Constructor Details

QsarWBMlfer

public QsarWBMlfer()