Package qsardes.descriptor.qsarme

Class QsarMEBondCount

java.lang.Object

qsardes.descriptor.DescriptorBondCount

qsardes.descriptor.qsarme.QsarMEBondCount

All Implemented Interfaces:

Descriptor

public final class QsarMEBondCount
extends DescriptorBondCount

Bond count descriptors (QSAR-ME Profiler 2025).

Calculates bond count descriptors.

Returns

nBonds - Bonds count (no hydrogens).
nBonds2 - Bonds count.
nBondsS - Single bonds count.
nBondsS2 - Single bonds count (no aromatic bonds).
nBondsS3 - Single bonds count (no hydrogens and aromatic bonds).
nBondsD - Double bonds count.
nBondsD2 - Double bonds count (no aromatic bonds).
nBondsT - Triple bonds count.
nBondsQ - Quadruple bonds count.
nBondsM - Bonds of order bigger than 1 count.

Constructor Summary

Constructors

Constructor	Description
QsarMEBondCount()

Method Summary

Methods inherited from class qsardes.descriptor.DescriptorBondCount

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

QsarMEBondCount

public QsarMEBondCount()