RegressionModelCalculatorOptimumFactors (OpenChemLib 2021.2.0 API)

java.lang.Object
- com.actelion.research.calc.regression.linear.pls.RegressionModelCalculatorOptimumFactors

```
public class RegressionModelCalculatorOptimumFactors
extends java.lang.Object
```
RegressionModelCalculatorOptimumFactors
Copyright: Actelion Ltd., Inc. All Rights Reserved This software is the proprietary information of Actelion Pharmaceuticals, Ltd. Use is subject to license terms.

Version:

1.0 Aug 14, 2015 MvK Start implementation

Author:

Modest von Korff

Constructor Summary

Constructors
Constructor Description

RegressionModelCalculatorOptimumFactors()

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`ModelError`	`calculateModel(ModelXYIndex dataXYTrain, int factorsStart, int factorsEnd)`	Calculates the PLS regression model for the given data set.
`Matrix`	`getB()`
`int`	`getFactorsMin()`
`Matrix`	`getYHat()`
`void`	`setCenterData(boolean centerData)`

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

- Constructor Detail
  - RegressionModelCalculatorOptimumFactors
```
public RegressionModelCalculatorOptimumFactors()
```
- Method Detail
  - setCenterData
```
public void setCenterData(boolean centerData)
```
    Parameters:
    
    centerData - the centerData to set
  - calculateModel
```
public ModelError calculateModel(ModelXYIndex dataXYTrain,
                                 int factorsStart,
                                 int factorsEnd)
```
    Calculates the PLS regression model for the given data set. A Leave Multiple Out estimator is used to assess the optimum number of factors. The calculation starts with factorsStart factor up to factorsEnd.
    
    Parameters:
    
    dataXYTrain -
    
    factorsStart -
    
    factorsEnd -
    
    Returns:
  - getB
```
public Matrix getB()
```
    Returns:
    
    the b
  - getYHat
```
public Matrix getYHat()
```
    Returns:
    
    the yHat
  - getFactorsMin
```
public int getFactorsMin()
```
    Returns:
    
    the factorsMin