Package qsardes.descriptor.qsarwb

Class QsarWBAdjacencyMatrix

java.lang.Object

qsardes.descriptor.DescriptorAdjacencyMatrix

qsardes.descriptor.qsarwb.QsarWBAdjacencyMatrix

All Implemented Interfaces:

Descriptor

public final class QsarWBAdjacencyMatrix
extends DescriptorAdjacencyMatrix

Adjacency distance matrix descriptors (QSAR-WB Descriptors).

Calculates adjacency matrix descriptors.

Returns

SpMax_A - Leading eigenvalue.
SpDiam_A - Spectral diameter.
SpAD_A - Spectral absolute deviation.
SpMAD_A - Spectral mean absolute deviation.
EE_A - Estrada-like index.
VE1_A - Coefficient sum of the last eigenvector.
VE2_A - Average coefficient sum of the last eigenvector.
VE3_A - Logarithmic coefficient sum of the last eigenvector.
VR1_A - Randic-like eigenvector-based index.
VR2_A - Normalized Randic-like eigenvector-based index.
VR3_A - Logarithmic Randic-like eigenvector-based index.

Constructor Summary

Constructors

Constructor	Description
QsarWBAdjacencyMatrix()

Method Summary

Methods inherited from class qsardes.descriptor.DescriptorAdjacencyMatrix

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

QsarWBAdjacencyMatrix

public QsarWBAdjacencyMatrix()