An Artificial Intelligence Framework for Optimal Drug Design
G. Ramey, S. Vargas, D. De Alwis, A. N. Alexandrova, J. Distefano, P. Bloomingdale
This paper introduces an AI framework for optimal drug design that enhances brain exposure by integrating molecular design, QSAR, and PBPK modeling, showing significant improvements over existing drugs and random molecules.
bioRxiv · Oct 29, 2022 · PreprintPharmacology & Toxicology