Blending Pre-formulation Metrics with Molecular Calculations to Facilitate Aerosol Product Formulation

In silico modeling using synthonic engineering provides a powerful tool to assist quality by design (QbD) strategies by facilitating the study of molecular forces of interaction between formulation components such as carrier particles and active pharmaceutical ingredients (APIs) in inhalation products. This article reports the outcomes of an inter-disciplinary study that combined computational molecular modeling and the measurement of interparticulate forces and rapid formulation pre-screening with the aim of achieving a priori formulation design and rapid verification through a material testing approach.