Industry Session

Tech Forum: Molecular modeling and Machine Learning for Drug Formulation

Speaker(s)

• JS

  John Shelley, PhD

  Schrödinger
• DN

  David Nicholson, M.S.CEP, PhD

  Schrödinger
• BC

  Benjamin Coscia, PhD

  Schrödinger

Schrodinger, LLC. a leader in the application of structure-based molecular modeling and Machine Learning to drug discovery and development will provide a brief, broad overview on the emerging field of structure-based molecular modeling for drug formulation followed by two more focused presentations: 1. Modeling the formation, structure and behavior of mRNA-containing lipid nanoparticles and 2. Excipient/polymer selection for small-molecule drug formulation including amorphous solid dispersions. We anticipate that attendees will gain an understanding of:

- The value and limitations of structure-based molecular modelling and machine learning for drug formulation
- Employing modeling to impact excipient selection
- How molecular modeling, particularly when combined with experiment, can lead to a competitive advantage by providing insight into complex formulations