Research Output
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.

  • Date:

    31 May 2016

  • Publication Status:

    Published

  • Library of Congress:

    QA75 Electronic computers. Computer science

  • Dewey Decimal Classification:

    003.3 Computer modelling & simulation

  • Funders:

    University of Leeds

Citation

Murnane, D., Ramachandran, V., Hammond, R., Pickering, J., Roberts, K., Soufian, M., …Pencheva, K. (2016). Blending Pre-formulation Metrics with Molecular Calculations to Facilitate Aerosol Product Formulation. In Respiratory Drug Delivery (79-88)

Authors

Keywords

silico modeling, synthonic engineering, quality by design (QbD), omputational molecular modeling,

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