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DeepIDC: A Prediction Framework of Injectable Drug Combination Based on Heterogeneous Information and Deep Learning

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单位: [1]College of Life Science and Technology, University of Electronic Science and Technology of China, Chengdu, Sichuan, China [2]Beijing Friendship Hospital, Capital Medical University, Beijing, China [3]Beijing Institute of Clinical Pharmacy, Beijing, China [4]School of Basic Medical Science, Chengdu University, Chengdu, China
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Background and Objective In clinical practice, injectable drug combination (IDC) usually provides good therapeutic effects for patients. Numerous clinical studies have directly indicated that inappropriate IDC generates adverse drug events (ADEs). The clinical application of injections is increasing, and many injections lack relevant combination information. It is still a significant need for experienced clinical pharmacists to participate in evidence-based drug decision making, monitor medication safety, and manage drug interactions. Meanwhile, a large number of injection pairs and dosage combinations limit exhaustive screening. Here, we present a prediction framework, called DeepIDC, that can expediently screen the feasibility of IDCs using heterogeneous information with deep learning. This is the first specific prediction framework to identify IDCs. Methods Since the interaction between the injected drugs may occur in the direct physical and chemical reactions at the time of mixing or may be the indirect interaction of their drug targets and pathways, we used molecular fingerprints, drug-target associations, and drug-pathway associations to convert injections into a string of digital vectors. Then, based on these injection vectors, we combined a bidirectional long short-term memory and a feed-forward neural network to build a prediction model for accurate and instructive prediction of IDC. Results In three realistic evaluation scenarios, DeepIDC has achieved ideal prediction results. Furthermore, compared with the other five machine-learning methods, the proposed predictor is more efficient and robust. Among the top 30 potential IDCs of each IDC class predicted by DeepIDC, we found that 9 cases were experimentally verified in the literature or available on Drug.com. Conclusion The information we extracted in vivo and in vitro can effectively characterize injectable drugs. DeepIDC developed based on deep learning algorithm provides a valuable unified framework for new IDC discovery, which can make up for the lack of IDC information and predict potential IDC events.

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出版当年[2021]版:
大类 | 2 区 医学
小类 | 1 区 药学
最新[2025]版:
大类 | 2 区 医学
小类 | 1 区 药学
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出版当年[2020]版:
Q1 PHARMACOLOGY & PHARMACY
最新[2024]版:
Q1 PHARMACOLOGY & PHARMACY

影响因子: 最新[2024版] 最新五年平均[2021-2025] 出版当年[2020版] 出版当年五年平均[2016-2020] 出版前一年[2019版] 出版后一年[2021版]

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第一作者单位: [1]College of Life Science and Technology, University of Electronic Science and Technology of China, Chengdu, Sichuan, China
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通讯机构: [2]Beijing Friendship Hospital, Capital Medical University, Beijing, China [3]Beijing Institute of Clinical Pharmacy, Beijing, China
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