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Bing-Xue Du

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Articles 6
Citations 28
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Recent Articles
1.
Du B, Yu H, Zhu B, Long Y, Wu M, Shi J
Methods . 2025 Feb; 237:45-52. PMID: 40021034
It is a vital step to identify the enzyme turnover number (kcat) in synthetic biology and early-stage drug discovery. Recently, deep learning methods have achieved inspiring process to predict kcat...
2.
Zhao P, Wei X, Wang Q, Wang H, Du B, Li J, et al.
Interdiscip Sci . 2025 Jan; PMID: 39760923
Metabolism in vivo turns small molecules (e.g., drugs) into metabolites (new molecules), which brings unexpected safety issues in drug development. However, it is costly to determine metabolites by biological assays....
3.
Zhu B, Yu H, Du B, Shi J
Methods . 2024 Jan; 222:51-56. PMID: 38184219
The interaction between human microbes and drugs can significantly impact human physiological functions. It is crucial to identify potential microbe-drug associations (MDAs) before drug administration. However, conventional biological experiments to...
4.
Du B, Xu Y, Yiu S, Yu H, Shi J
iScience . 2023 Nov; 26(11):108285. PMID: 38026198
It is a critical step in lead optimization to evaluate the absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of drug-like compounds. Classical single-task learning (STL) has effectively predicted individual...
5.
Du B, Long Y, Li X, Wu M, Shi J
Bioinformatics . 2023 Aug; 39(8). PMID: 37572298
Motivation: Metabolic stability plays a crucial role in the early stages of drug discovery and development. Accurately modeling and predicting molecular metabolic stability has great potential for the efficient screening...
6.
Du B, Zhao P, Zhu B, Yiu S, Nyamabo A, Yu H, et al.
Bioinformatics . 2022 Jun; 38(Suppl 1):i325-i332. PMID: 35758801
Motivation: During lead compound optimization, it is crucial to identify pathways where a drug-like compound is metabolized. Recently, machine learning-based methods have achieved inspiring progress to predict potential metabolic pathways...
7.
Du B, Qin Y, Jiang Y, Xu Y, Yiu S, Yu H, et al.
Drug Discov Today . 2022 Mar; 27(5):1350-1366. PMID: 35248748
The screening of compound-protein interactions (CPIs) is one of the most crucial steps in finding hit and lead compounds. Deep learning (DL) methods for CPI prediction can address intrinsic limitations...