chemaxon.calculations.hlb

class HlbMethod(enum.IntEnum):
  • CHEMAXON - This is a consensus method based on the other two methods with optimal weights
  • DAVIES - This is an extended version of the Davies method
  • GRIFFIN - This is an extended version of the Griffin method
  • REQUIRED - Experimental value, characteristic to the compound used in (O/W) emulsions
CHEMAXON = <HlbMethod.CHEMAXON: 0>
DAVIES = <HlbMethod.DAVIES: 1>
GRIFFIN = <HlbMethod.GRIFFIN: 2>
REQUIRED = <HlbMethod.REQUIRED: 3>
def hlb( mol: chemaxon.molecule.Molecule, method: HlbMethod = <HlbMethod.CHEMAXON: 0>) -> float:

Hydrophilic-lipophilic balance calculation.

The hydrophilic-lipophilic balance number (HLB number) measures the degree of a molecule being hydrophilic or lipophilic. This number is calculated based on identifying various hydrophil and liphophil regions in the molecule. This number is a commonly used descriptor in any workflow in which lipid based delivery can be an option (e.g. lipid-based drug delivery, cosmetics).

Link: https://docs.chemaxon.com/display/docs/calculators_hlb-predictor.md

Parameters

mol : Molecule Input molecule method : HlbMethod This option is for selecting the applied method for the HLB calculation: - CHEMAXON - DAVIES - GRIFFIN - REQUIRED

Returns

hlb : float The calculated HLB value