Package com.actelion.research.chem.prediction

Class DruglikenessPredictor

java.lang.Object

com.actelion.research.chem.prediction.DruglikenessPredictor

public class DruglikenessPredictor
extends java.lang.Object

Field Summary

Fields

Modifier and Type	Field	Description
static double	cDruglikenessUnknown

Constructor Summary

Constructors

Constructor	Description
DruglikenessPredictor()

Method Summary

Modifier and Type	Method	Description
double	assessDruglikeness(StereoMolecule testMolecule, ThreadMaster threadMaster)
ParameterizedStringList	getDetail()	If assessDruglikeness() was called multiple times in multiple threads, then getDetail() won't retrieve the expected detail.
java.lang.String	getDruglikenessString(StereoMolecule testMolecule)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

cDruglikenessUnknown

public static final double cDruglikenessUnknown

See Also:

Constant Field Values

Constructor Detail

DruglikenessPredictor

public DruglikenessPredictor()

Method Detail

assessDruglikeness

public double assessDruglikeness(StereoMolecule testMolecule,
                                 ThreadMaster threadMaster)

getDruglikenessString

public java.lang.String getDruglikenessString(StereoMolecule testMolecule)

getDetail

public ParameterizedStringList getDetail()

If assessDruglikeness() was called multiple times in multiple threads, then getDetail() won't retrieve the expected detail.

Returns: