An integrated prediction model using machine learning and dynamics simulation for the selection of transdermal penetration enhancers.
Penetration enhancers (PEs) are widely used in transdermal drug delivery systems (TDDS) due to their cost-effectiveness and excellent biocompatibility. However, the rapid selection of PEs for TDDS is hindered by two critical challenges: first, in vitro permeation tests (IVPT) are costly and time consumption; second, th...