Machine learning framework to predict pharmacokinetic profile of small molecule drugs based on chemical structure

• Main Authors: Nikhil Pillai (Author), Alexandra Abos (Author), Donato Teutonico (Author), Panteleimon D. Mavroudis (Author)
• Format: Book
• Published: Wiley, 2024-05-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

Abstract Accurate prediction of a new compound's pharmacokinetic (PK) profile is pivotal for the success of drug discovery programs. An initial assessment of PK in preclinical species and humans is typically performed through allometric scaling and mathematical modeling. These methods use param...