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February 29, 2024Journal of Pharmaceutical SciencesOpen Access

Construction of An Oral Bioavailability Prediction Model Based on Machine Learning for Evaluating Molecular Modifications

Qi Yang Lili Fan Erwei Hao Xiaotao Hou Jiagang Deng Zhongshang Xia Zhengcai Du

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Abstract

This study aims to explore the impact of ADME on the Oral Bioavailability (OB) of drugs and to construct a machine learning model for OB prediction. The model is then applied to predict the OB of modified berberine and atenolol molecules to obtain structures with higher OB.

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Yang et al. (2024) studied this question.

synapsesocial.com/papers/68e76e58b6db6435876e39c9 https://doi.org/10.1016/j.xphs.2024.02.026

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