Authors: Professor Amin Rostami-Hodjegan, Professor Piet van der Graaf
This Pharma Focus EU article, co-authored by Amin Rostami-Hodjegan, SVP of Research & Development and CSO at Certara, and Professor Piet van der Graaf, SVP and Head of QSP at Certara, explores the integration of artificial intelligence (AI) in drug discovery, focusing on quantitative systems pharmacology (QSP) and physiologically based pharmacokinetic (PBPK) modeling. The authors highlight how AI, QSP, and PBPK models synergistically address challenges related to data overload and sparsity in drug discovery. Emphasizing the importance of asking pertinent questions, the article explores how AI efficiently mines unstructured data, constructs biological maps, and validates QSP models with real-world data. This comprehensive discussion underscores the multifaceted role of AI in supporting diverse aspects of the drug discovery process.