Combined data-driven and mechanism-based approaches for human-intestinal-absorption prediction in the early drug-discovery stage
Koichi Handa, Sakae Sugiyama, Michiharu Kageyama, Takeshi Iijima · Digital Discovery · 2023
To precisely predict the intestinal absorption ratio (Fa) at an early stage in the discovery, we combined a data-driven (using chemical structures) and mechanism-based approach (using gastrointestinal unified theoretical framework).