Review
Aug 2026
Gaps in AI-Driven Pharmacokinetic Property Prediction for Early Drug Development: A Scoping Review.
This scoping review investigates the current state of PK property prediction of small molecules in drug discovery using machine learning methods and a combination of machine learning and mechanistic models and proposes leveraging the pattern recognition capabilities of deep learning models in conjunction with the biological interpretability provided by mechanistic approaches.
Lucille Tomin, Vida Bodaghi-Namileh, D. Schwartz et al.
· Journal of Chemical Informat... · 0 citations