In silico PK predictions in Drug Discovery: Benchmarking of Strategies to Integrate Machine Learning with Empiric and Mechanistic PK modelling
Moritz Walter, Ghaith Aljayyoussi, Bettina Gerner, Hermann Rapp, Christofer S. Tautermann, Pavel Balazki, Miha Škalič, Jens Markus Borghardt, Lina Humbeck
This study benchmarks ML-integrated approaches for predicting PK profiles in rats, showing comparable accuracy across multiple methods for prioritizing drug candidates.
Clinical and Translational Science · Mar 1, 2025Peer-reviewedBioinformatics