Package qsardes.descriptor.qsarwb

Class QsarWBBcut

java.lang.Object

qsardes.descriptor.DescriptorBcut

qsardes.descriptor.qsarwb.QsarWBBcut

All Implemented Interfaces:

Descriptor

public final class QsarWBBcut
extends DescriptorBcut

BCUT descriptors (QSAR-WB Descriptors).

Calculates BCUT descriptors using the CDK BCUTDescriptor class.

Returns BCUT#-1*

# is the weight defined as w = atomic weight, c = atomic partial charge (Gasteiger Marsilli), p = atomic polarizability. * is the eigenvalue defined as l = lowest, h = highest.

Constructor Summary

Constructors

Constructor	Description
QsarWBBcut()

Method Summary

Methods inherited from class qsardes.descriptor.DescriptorBcut

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

QsarWBBcut

public QsarWBBcut()