Package qsardes.descriptor.qsarwb

Class QsarWBCarbonTypes

java.lang.Object

qsardes.descriptor.DescriptorCarbonTypes

qsardes.descriptor.qsarwb.QsarWBCarbonTypes

All Implemented Interfaces:

Descriptor

public final class QsarWBCarbonTypes
extends DescriptorCarbonTypes

Carbon types descriptors (QSAR-WB Descriptors).

Calculates carbon types descriptors using the CDK CarbonTypesDescriptor class.

Returns

C1SP1 - Triply bonded carbon bound to one other carbon.
C2SP1 - Triply bonded carbon bound to two other carbons.
C1SP2 - Doubly bonded carbon bound to one other carbon.
C2SP2 - Doubly bonded carbon bound to two other carbons.
C3SP2 - Doubly bonded carbon bound to three other carbons.
C1SP3 - Singly bonded carbon bound to one other carbon.
C2SP3 - Singly bonded carbon bound to two other carbons.
C3SP3 - Singly bonded carbon bound to three other carbons.
C4SP3 - Singly bonded carbon bound to four other carbons.

Constructor Summary

Constructors

Constructor	Description
QsarWBCarbonTypes()

Method Summary

Methods inherited from class qsardes.descriptor.DescriptorCarbonTypes

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

QsarWBCarbonTypes

public QsarWBCarbonTypes()