Improving the Stability and Transferability of Effective ADMET Models by Adding Quantum Mechanical Descriptors

Ashmita Bose, Gian-Luca R. Anselmetti, Matthias Degroote, Nikolaj Moll, Raffaele Santagati, Michael Streif, Nils Weskamp, Alexandre Tkatchenko. Improving the Stability and Transferability of Effective ADMET Models by Adding Quantum Mechanical Descriptors. Journal of Chemical Information and Computer Sciences, 66(5):2488-2500, 2026. [doi]

Abstract

Abstract is missing.