The ADMET Predictor Module extends the capability of DDDPlus by enabling you to obtain predictions from structure of all physicochemical parameters required for DDDPlus, providing you with in silico inputs to use for your simulations of in vitro dissolution of pharmaceutical dosage forms. The module uses the same models as our best-in-class ADMET Predictor software.
Updated! Enhanced pKa model developed in collaboration with Bayer HealthCare – ALL models retrained with greater accuracy!
This module automatically generates predictions for the following properties:
- pKa(s)
- Aqueous solubility vs. pH profile
- Biorelevant solubility (FaSSIF, FeSSIF, and FaSSGF)
- logD vs. pH profile
- Diffusion coefficient in water
The ADMET Predictor Module provides several critical benefits:
- by loading a library of chemical structures for your desired excipients, create a database with predicted values for hard to measure properties
- use the in silico predictions and Parameter Sensitivity Analysis to guide your in vitro dissolution experiments
- begin evaluating different formulation strategies to assess the importance of factors like particle size, solubility and dose on in vitro dissolution