Package qsardes.descriptor.qsarwb

Class QsarWBRuleOfFive

java.lang.Object

qsardes.descriptor.DescriptorRuleOfFive

qsardes.descriptor.qsarwb.QsarWBRuleOfFive

All Implemented Interfaces:

Descriptor

public class QsarWBRuleOfFive
extends DescriptorRuleOfFive

Rule of five descriptor (QSAR-WB Descriptors).

Calculates the rule of five descriptor using the CDK RuleOfFiveDescriptor class (checkAromaticity is set to false).

Returns LipinskiFailures.

Constructor Summary

Constructors

Constructor	Description
QsarWBRuleOfFive()

Method Summary

Methods inherited from class qsardes.descriptor.DescriptorRuleOfFive

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

QsarWBRuleOfFive

public QsarWBRuleOfFive()