Calculation of Solubility Parameters is now available in ZoomLab™
Solubility parameters allow rapid screening for suitable excipients such as solvents or polymers that are expected to interact strongly with a given active ingredient. ZoomLab™’s “Solubility Parameter Calculation” module allows for instantaneous calculation of solubility parameters utilizing various group contribution methods described in the pharmaceutical literature!
ZoomLab™’s “Solubility Parameter Calculation” module calculates Hansen solubility parameters for a user-input compound based on the following group contribution methods:
- Hoftyzer / Van Krevelen
- Hoy
- Just
For calculation, information on the molecular structure of a compound is required in the form of Simplified Molecular Input Line Entry Specification (SMILES). ZoomLab™ then automatically generates the molecular structure, divides the molecule into fragments and assigns the corresponding parameter values for solubility parameter calculation based on the respective group contribution method.
Download the full poster as a PDF here
The calculated solubility parameters are returned in a result table and information is given whether ZoomLab™ was able to successfully apply the individual group contribution methods. Find the new “Solubility Parameter Calculation” module on ZoomLab™’s homepage with the Solubilization modules.
Register for the new ZoomLab™ webinar: Digitally guiding dosage form and formulation for improved solubility
