FAQ: Key AI Applications in Drug Development

1. How are computational models and AI/ML being leveraged in early-stage formulation development?

Up to 90% of drug candidates currently in development are poorly soluble, posing a significant risk to commercial success. To mitigate this, artificial intelligence (AI) and machine learning (ML) are utilized in silico to accelerate early-phase development by predicting optimal solubilization technologies, such as amorphous solid dispersion formulations.

Advanced models, including molecular dynamics simulations and quantum mechanical calculations, analyze molecular descriptors (like potential energy surface charge models and hydrogen bond…