Package qsardes.descriptor.qsarme

Class QsarMEAtomCount

java.lang.Object

qsardes.descriptor.DescriptorAtomCount

qsardes.descriptor.qsarme.QsarMEAtomCount

All Implemented Interfaces:

Descriptor

public final class QsarMEAtomCount
extends DescriptorAtomCount

Atom count descriptors (QSAR-ME Profiler 2025).

Calculates atom count descriptors using the CDK AtomCountDescriptor class. In addition counts the number of halogens and heavy atoms.

Returns n# where # is the atomic symbols. Also returns nX (halogens) and nHeavyAtom.

Constructor Summary

Constructors

Constructor	Description
QsarMEAtomCount()

Method Summary

Methods inherited from class qsardes.descriptor.DescriptorAtomCount

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

QsarMEAtomCount

public QsarMEAtomCount()