The MembranePlus™ Optimization Module
The Optimization Module for MembranePlus extends and enhances the program’s basic capabilities in several important ways. It uses a powerful direct search optimization algorithm to minimize an objective function (error function) that you specify within the MembranePlus framework. In simple terms, the optimizer adjusts your selected set of model parameters in order to minimize the difference between predicted and observed values of the drug concentrations from your in vitro permeability or hepatocytes studies.
Using your measured concentration vs. time data, fit parameters to build more robust models (e.g., nonlinear kinetics) and “learn” from your chemical series. Or, apply the feature to help design your in vitro Caco-2, PAMPA, or MDCK permeability experiment – based on your compound’s properties, how long do you need to run the experiment? At what pH? Or what shaking rate?