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HLB

StreamableChemAxon/Infocom JChem Extensions version 4.3.0.v202000 by Infocom Corporation

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) The HLB Predictor is a general tool for predicting the HLB number. It can predict the HLB number based on the Davies or the Griffin method.

Options

Method
  • ChemAxon: this is a consensus method based on the other two methods with optimal weights (default).
  • Davies: this is an extended version of the Davies method.
  • Griffin: this is an extended version of the Griffin method.
Structure column
The structure column.

Input Ports

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Input table that contains structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Output Ports

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Output table that contains HLB.

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install ChemAxon/Infocom JChem Extensions Feature from the following update site:

KNIME 4.3

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