Combined data-driven and mechanism-based approaches for human-intestinal-absorption prediction in the early drug-discovery stage

Digital Discovery, 2023, 2,1577-1588
DOI: 10.1039/D3DD00144J, Paper
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Koichi Handa, Sakae Sugiyama, Michiharu Kageyama, Takeshi Iijima
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).
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