Fabio Broccatelli

This paper applies mechanistic multiparameter optimization to drug discovery, showing it can prioritize compounds effectively for clinical trials with high accuracy.

This paper proposes a simplified method to estimate organ-to-plasma ratios in PBPK modeling using volume of distribution data, showing improved accuracy compared to in vitro-based approaches.

This study introduces the Balanced Permeability Index (BPI), a multi-parameter metric that improves classification of molecular permeability and efflux, outperforming individual physicochemical properties.