Jul 2026
Learning Diffusion from Sparse Data: A Machine-Learning Bridge between Molecular Motion and Macroscopic Transport
It is demonstrated that learned D* act as transferable, physically interpretable descriptors in skin permeability modeling, where their inclusion reduces test set error and improves correlation relative to models relying solely on conventional physicochemical descriptors.
Hojin Jung, Su-min Song, Sabari Kumar et al.
· Journal of Chemical Informat... · 0 citations