Developing a quantitative structure–property relationships (QSPR) model using Caco‐2 cell bioavailability indicators (BA) to predict the BA of phytochemicals
The present study suggests that a prediction system for bioavailability, including TEER, P<sub>app</sub> and efflux ratio, can be developed using a QSPR model, which could contribute to advancements in discover of functional ingredients and drugs. © 2025 The Author(s). Journal of the Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Authors
- Soon‐Mi Shim (ORCID: https://orcid.org/0000-0002-5978-9662)
- Keunwan Park (ORCID: https://orcid.org/0000-0002-8783-9495)
- Kyungsu Kang (ORCID: https://orcid.org/0000-0003-3846-7936)
- N. S. Lee (ORCID: https://orcid.org/0000-0001-6658-6946)
- Jin‐Woo Kim (ORCID: https://orcid.org/0000-0002-1672-5730)
- Dong‐Ho Lee (ORCID: https://orcid.org/0000-0001-5545-9626)
- Jin‐Soo Park (ORCID: https://orcid.org/0000-0001-7349-9808)
- Kang‐Woo Lee
- Chau Hoang Bao Nguyen
- I.-K. Na
Institutions
- Gangneung–Wonju National University (KR)
- Sejong University (KR)
- Korea Institute of Science and Technology (KR)
- Korea University of Science and Technology (KR)
Publication Details
- Journal
- Journal of the Science of Food and Agriculture
- Published
- 2025-05-30
- DOI
- https://doi.org/10.1002/jsfa.14400
- Citations
- 2
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 3.01
Funders
- Korea Institute of Science and Technology