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

java.lang.Object
- chemaxon.calculations.bbb.BBB

```
@PublicAPI
public class BBB
extends Object
```
BBB score calculator.
Scientific paper: https://pubs.acs.org/doi/abs/10.1021/acs.jmedchem.9b01220

Nested Class Summary

Nested Classes
Modifier and Type	Class	Description
`static class`	`BBB.Property`	Simple DTO that contains the predicted value, its BBB score and the BBB score multiplied with the corresponding BBB multiplier.

Method Summary

All Methods Static Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`static BBB`	`calculate(Molecule molecule)`	Calculates the BBB properties and scores of the given Molecule.
`Map<BBBFunction,BBB.Property>`	`properties()`	Returns the calculated phys-chem properties and scores.
`double`	`score()`	Calculates the BBB 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<BBBFunction,BBB.Property> properties()
```
    Returns the calculated phys-chem properties and scores.
  - score
```
public double score()
```
    Calculates the BBB score from properties.
    
    Returns:
    
    the sum of property's multiplied scores
  - calculate
```
public static BBB calculate(Molecule molecule)
```
    Calculates the BBB properties and scores of the given Molecule.
    
    Parameters:
    
    molecule - input structure
    
    Returns:
    
    the BBB