CnsMpo (Marvin API documentation (c) 1998-2023 Chemaxon Ltd.)

java.lang.Object
- chemaxon.calculations.cnsmpo.CnsMpo

```
@PublicAPI
public class CnsMpo
extends Object
```
CNS MPO score calculator.
Scientific paper: https://pubs.acs.org/doi/pdf/10.1021/acschemneuro.6b00029

Nested Class Summary

Nested Classes
Modifier and Type Class Description

static class CnsMpo.Property
Simple DTO that contains the predicted value and its CNS MPO score.

Method Summary

All Methods Static Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`static CnsMpo`	`calculate(Molecule molecule)`	Calculates the CNS MPO properties and scores of the given molecule.
`Map<CnsMpoFunction,CnsMpo.Property>`	`properties()`	Returns the calculated phys-chem properties and scores.
`double`	`score()`	Calculates the CNS MPO score from properties.

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

- Method Detail
  - properties
```
public Map<CnsMpoFunction,CnsMpo.Property> properties()
```
    Returns the calculated phys-chem properties and scores.
  - score
```
public double score()
```
    Calculates the CNS MPO score from properties.
    
    Returns:
    
    the sum of property"s scores
  - calculate
```
public static CnsMpo calculate(Molecule molecule)
```
    Calculates the CNS MPO properties and scores of the given molecule.
    
    Parameters:
    
    molecule - input structure
    
    Returns:
    
    the CNS MPO