Package qsardes.descriptor.qsarwb

Class QsarWBHBondDonorsCount

java.lang.Object

qsardes.descriptor.DescriptorHBondDonorsCount

qsardes.descriptor.qsarwb.QsarWBHBondDonorsCount

All Implemented Interfaces:

Descriptor

public final class QsarWBHBondDonorsCount
extends DescriptorHBondDonorsCount

Hydrogen bond donors count descriptors (QSAR-WB Descriptors).

Calculates hydrogens bond donor count descriptors.

Returns

nHBDon - Number of hydrogen bond donors.
nHBDon_Lipinski - Number of hydrogen bond donors (using Lipinski's definition: Any OH or NH. Each available hydrogen atom is counted as one hydrogen bond donor).

Constructor Summary

Constructors

Constructor	Description
QsarWBHBondDonorsCount()

Method Summary

Methods inherited from class qsardes.descriptor.DescriptorHBondDonorsCount

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

QsarWBHBondDonorsCount

public QsarWBHBondDonorsCount()