Case studies

Excipient class screenings

Excipient class screenings based on intermolecular interaction predictions – a  scientific way to decide between amorphous solid dispersions, co‑amorphous, lipid‑based or sugar‑based formulations.

01

Key data

Characterize molecule with few measurements in the lab (e.g. solubility in organic solvents)

02

Model training

Adjust physical model parameters to understand net intermolecular interactions of the molecule

03

Interaction screening

Evaluate amorphous solid dispersions, lipid-based, and more for optimized results.

Overview

Early‑stage development requires clear, scientific decisions while conserving limited API. By combining classical analytics with PC‑SAFT predictions, amofor identifies stabilizing excipients and ranks potential enabling platforms, such as amorphous solid dispersions (ASDs), co‑amorphous systems, lipid‑based and sugar‑based formulations.

Excipient Class Screening

Which type of enabling formulation platform is the most promising based on the predicted intermolecular interactions? A classical ASD may be optimal — yet alternatives like co‑amorphous, lipid‑based, or sugar‑based systems can prove superior depending on the compound.

  • Goal: Identification of stabilizing excipients based on intermolecular interaction predictions.
  • Outcome: Easy and scientific decision on the most suitable enabling formulation technique (lipid‑based, co‑amorphous, ASD, sugar‑based).
 

Approach

We start with tradition: solid‑state analytics, DSC, XRPD, solubility testing. Predictions from PC‑SAFT complement this work, guiding the shortlist of excipient classes. Ranking is then performed to establish which class offers the best stabilization for the compound at hand.

Ranking Examples

The comparative ranking illustrates how excipient classes differ in stabilizing effect:

  • Fenofibrate is best stabilized by lipids → lipid‑based formulations.
  • Piroxicam is best stabilized by amino acids → co‑amorphous formulations.
  • Many other APIs (not studied in the diagram) are well stabilized by polymers → amorphous solid dispersions (ASDs).