1.KG-CNNDTI: a knowledge graph-enhanced prediction model for drug-target interactions and application in virtual screening of natural products against Alzheimer's disease.
Chengyuan YUE ; Baiyu CHEN ; Long CHEN ; Le XIONG ; Changda GONG ; Ze WANG ; Guixia LIU ; Weihua LI ; Rui WANG ; Yun TANG
Chinese Journal of Natural Medicines (English Ed.) 2025;23(11):1283-1292
Accurate prediction of drug-target interactions (DTIs) plays a pivotal role in drug discovery, facilitating optimization of lead compounds, drug repurposing and elucidation of drug side effects. However, traditional DTI prediction methods are often limited by incomplete biological data and insufficient representation of protein features. In this study, we proposed KG-CNNDTI, a novel knowledge graph-enhanced framework for DTI prediction, which integrates heterogeneous biological information to improve model generalizability and predictive performance. The proposed model utilized protein embeddings derived from a biomedical knowledge graph via the Node2Vec algorithm, which were further enriched with contextualized sequence representations obtained from ProteinBERT. For compound representation, multiple molecular fingerprint schemes alongside the Uni-Mol pre-trained model were evaluated. The fused representations served as inputs to both classical machine learning models and a convolutional neural network-based predictor. Experimental evaluations across benchmark datasets demonstrated that KG-CNNDTI achieved superior performance compared to state-of-the-art methods, particularly in terms of Precision, Recall, F1-Score and area under the precision-recall curve (AUPR). Ablation analysis highlighted the substantial contribution of knowledge graph-derived features. Moreover, KG-CNNDTI was employed for virtual screening of natural products against Alzheimer's disease, resulting in 40 candidate compounds. 5 were supported by literature evidence, among which 3 were further validated in vitro assays.
Alzheimer Disease/drug therapy*
;
Biological Products/therapeutic use*
;
Humans
;
Neural Networks, Computer
;
Machine Learning
;
Drug Discovery/methods*
;
Algorithms
;
Drug Evaluation, Preclinical/methods*
2.Optimization of fermentation processes in intelligent biomanufacturing: on online monitoring, artificial intelligence, and digital twin technologies.
Jianye XIA ; Dongjiao LONG ; Min CHEN ; Anxiang CHEN
Chinese Journal of Biotechnology 2025;41(3):1179-1196
As a strategic emerging industry, biomanufacturing faces core challenges in achieving precise optimization and efficient scale-up of fermentation processes. This review focuses on two critical aspects of fermentation-real-time sensing and intelligent control-and systematically summarizes the advancements in online monitoring technologies, artificial intelligence (AI)-driven optimization strategies, and digital twin applications. First, online monitoring technologies, ranging from conventional parameters (e.g., temperature, pH, and dissolved oxygen) to advanced sensing systems (e.g., online viable cell sensors, spectroscopy, and exhaust gas analysis), provide a data foundation for real-time microbial metabolic state characterization. Second, conventional static control relying on expert experience is evolving toward AI-driven dynamic optimization. The integration of machine learning technologies (e.g., artificial neural networks and support vector machines) and genetic algorithms significantly enhances the regulation efficiency of feeding strategies and process parameters. Finally, digital twin technology, integrating real-time sensing data with multi-scale models (e.g., cellular metabolic kinetics and reactor hydrodynamics), offers a novel paradigm for lifecycle optimization and rational scale-up of fermentation. Future advancements in closed-loop control systems based on intelligent sensing and digital twin are expected to accelerate the industrialization of innovative achievements in synthetic biology and drive biomanufacturing toward higher efficiency, intelligence, and sustainability.
Artificial Intelligence
;
Fermentation
;
Bioreactors/microbiology*
;
Neural Networks, Computer
;
Algorithms
;
Biotechnology/methods*
3.pLM4ACP: a model for predicting anticancer peptides based on machine learning and protein language models.
Yitong LIU ; Wenxin CHEN ; Juanjuan LI ; Xue CHI ; Xiang MA ; Yanqiong TANG ; Hong LI
Chinese Journal of Biotechnology 2025;41(8):3252-3261
Cancer is a serious global health problem and a major cause of human death. Conventional cancer treatments often run the risk of impairing vital organ functions. Anticancer peptides (ACPs) are considered to be one of the most promising therapeutic agents against common human cancers due to their small sizes, high specificity, and low toxicity. Since ACP recognition is highly limited to the laboratory, expensive, and time-consuming, we proposed pLM4ACP, a model for predicting ACPs based on machine learning and protein language models. In this model, the protein language model ProtT5 was used to extract the features of ACPs, and the extracted features were input into the support vector machine (SVM) classification algorithm for optimization and performance evaluation. The model showcased significantly higher accuracy than other methods, with the overall accuracy of 0.763, F1-score of 0.767, Matthews correlation coefficient of 0.527, and area under the curve of 0.827 on the independent test set. This study constructs an efficient anticancer peptide prediction model based on protein language models, further advancing the application of artificial intelligence in the biomedical field and promoting the development of precision medicine and computational biology.
Machine Learning
;
Antineoplastic Agents/chemistry*
;
Humans
;
Peptides/chemistry*
;
Support Vector Machine
;
Algorithms
;
Computational Biology/methods*
;
Neoplasms/drug therapy*
4.An intelligent recognition method for crop density based on Faster R-CNN.
Xiuhua LI ; Qian LI ; Hanwen ZHANG ; Lu DING ; Zeping WANG
Chinese Journal of Biotechnology 2025;41(10):3828-3839
Accurately obtaining the crop quantity and density is not only crucial for the demand-based input of water and fertilizer in the field but also vital for ensuring the yield and quality of crops. Aerial photography by unmanned aerial vehicles (UAVs) can quickly acquire the distribution image information of crops over a large area. However, the accurate recognition of a single type of dense targets is a huge challenge for most recognition algorithms. Taking banana seedlings as an example in this study, we captured the images of banana plantations by UAVs from high altitudes to explore an efficient recognition method for dense targets. We proposed a strategy of "cut-recognition-stitch" and constructed a counting method based on the improved Faster R-CNN algorithm. First, the images containing highly dense targets were cropped into a large number of image tiles according to different sizes (simulating different flight altitudes), and the Contrast Limited Adaptive Histogram Equalization (CLAHE) algorithm was adopted to improve the image quality. A banana seedling dataset containing 36 000 image tiles was constructed. Then, the Faster R-CNN network with optimized parameters was used to train the banana seedling recognition model. Finally, the recognition results were reversely stitched together, and a boundary deduplication algorithm was designed to correct the final counting results to reduce the repeated recognition caused by image cropping. The results show that the recognition accuracy of the Faster R-CNN with optimized parameters for banana image datasets of different sizes can reach up to 0.99 at most. The deduplication algorithm can reduce the average counting error for the original aerial images from 1.60% to 0.60%, and the average counting accuracy of banana seedlings reaches 99.4%. The proposed method effectively addresses the challenge of recognizing dense small objects in high-resolution aerial images, providing an efficient and reliable technical solution for intelligent crop density monitoring in precision agriculture.
Musa/growth & development*
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Crops, Agricultural/growth & development*
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Algorithms
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Neural Networks, Computer
;
Unmanned Aerial Devices
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Seedlings/growth & development*
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Image Processing, Computer-Assisted/methods*
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Photography
;
Agriculture/methods*
5.A machine learning approach for the diagnosis of obstructive sleep apnoea using oximetry, demographic and anthropometric data.
Zhou Hao LEONG ; Shaun Ray Han LOH ; Leong Chai LEOW ; Thun How ONG ; Song Tar TOH
Singapore medical journal 2025;66(4):195-201
INTRODUCTION:
Obstructive sleep apnoea (OSA) is a serious but underdiagnosed condition. Demand for the gold standard diagnostic polysomnogram (PSG) far exceeds its availability. More efficient diagnostic methods are needed, even in tertiary settings. Machine learning (ML) models have strengths in disease prediction and early diagnosis. We explored the use of ML with oximetry, demographic and anthropometric data to diagnose OSA.
METHODS:
A total of 2,996 patients were included for modelling and divided into test and training sets. Seven commonly used supervised learning algorithms were trained with the data. Sensitivity (recall), specificity, positive predictive value (PPV) (precision), negative predictive value, area under the receiver operating characteristic curve (AUC) and F1 measure were reported for each model.
RESULTS:
In the best performing four-class model (neural network model predicting no, mild, moderate or severe OSA), a prediction of moderate and/or severe disease had a combined PPV of 94%; one out of 335 patients had no OSA and 19 had mild OSA. In the best performing two-class model (logistic regression model predicting no-mild vs. moderate-severe OSA), the PPV for moderate-severe OSA was 92%; two out of 350 patients had no OSA and 26 had mild OSA.
CONCLUSION
Our study showed that the prediction of moderate-severe OSA in a tertiary setting with an ML approach is a viable option to facilitate early identification of OSA. Prospective studies with home-based oximeters and analysis of other oximetry variables are the next steps towards formal implementation.
Humans
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Oximetry/methods*
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Sleep Apnea, Obstructive/diagnosis*
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Male
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Female
;
Middle Aged
;
Machine Learning
;
Polysomnography
;
Adult
;
Anthropometry
;
ROC Curve
;
Aged
;
Algorithms
;
Predictive Value of Tests
;
Sensitivity and Specificity
;
Neural Networks, Computer
;
Demography
6.Use of deep learning model for paediatric elbow radiograph binomial classification: initial experience, performance and lessons learnt.
Mark Bangwei TAN ; Yuezhi Russ CHUA ; Qiao FAN ; Marielle Valerie FORTIER ; Peiqi Pearlly CHANG
Singapore medical journal 2025;66(4):208-214
INTRODUCTION:
In this study, we aimed to compare the performance of a convolutional neural network (CNN)-based deep learning model that was trained on a dataset of normal and abnormal paediatric elbow radiographs with that of paediatric emergency department (ED) physicians on a binomial classification task.
METHODS:
A total of 1,314 paediatric elbow lateral radiographs (patient mean age 8.2 years) were retrospectively retrieved and classified based on annotation as normal or abnormal (with pathology). They were then randomly partitioned to a development set (993 images); first and second tuning (validation) sets (109 and 100 images, respectively); and a test set (112 images). An artificial intelligence (AI) model was trained on the development set using the EfficientNet B1 network architecture. Its performance on the test set was compared to that of five physicians (inter-rater agreement: fair). Performance of the AI model and the physician group was tested using McNemar test.
RESULTS:
The accuracy of the AI model on the test set was 80.4% (95% confidence interval [CI] 71.8%-87.3%), and the area under the receiver operating characteristic curve (AUROC) was 0.872 (95% CI 0.831-0.947). The performance of the AI model vs. the physician group on the test set was: sensitivity 79.0% (95% CI: 68.4%-89.5%) vs. 64.9% (95% CI: 52.5%-77.3%; P = 0.088); and specificity 81.8% (95% CI: 71.6%-92.0%) vs. 87.3% (95% CI: 78.5%-96.1%; P = 0.439).
CONCLUSION
The AI model showed good AUROC values and higher sensitivity, with the P-value at nominal significance when compared to the clinician group.
Humans
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Deep Learning
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Child
;
Retrospective Studies
;
Male
;
Female
;
Radiography/methods*
;
ROC Curve
;
Elbow/diagnostic imaging*
;
Neural Networks, Computer
;
Child, Preschool
;
Elbow Joint/diagnostic imaging*
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Emergency Service, Hospital
;
Adolescent
;
Infant
;
Artificial Intelligence
7.Development of an abdominal acupoint localization system based on AI deep learning.
Mo ZHANG ; Yuming LI ; Zongming SHI
Chinese Acupuncture & Moxibustion 2025;45(3):391-396
This study aims to develop an abdominal acupoint localization system based on computer vision and convolutional neural networks (CNNs). To address the challenge of abdominal acupoint localization, a multi-task CNNs architecture was constructed and trained to locate the Shenque (CV8) and human body boundaries. Based on the identified Shenque (CV8), the system further deduces key characteristics of four acupoints: Shangwan (CV13), Qugu (CV2), and bilateral Daheng (SP15). An affine transformation matrix is applied to accurately map image coordinates to an acupoint template space, achieving precise localization of abdominal acupoints. Testing has verified that this system can accurately identify and locate abdominal acupoints in images. The development of this localization system provides technical support for TCM remote education, diagnostic assistance, and advanced TCM equipment, such as intelligent acupuncture robots, facilitating the standardization and intelligent advancement of acupuncture.
Acupuncture Points
;
Humans
;
Deep Learning
;
Abdomen/diagnostic imaging*
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Neural Networks, Computer
;
Acupuncture Therapy
;
Image Processing, Computer-Assisted
8.Construction of an artificial intelligence-assisted system for auxiliary detection of auricular point features based on the YOLO neural network.
Ganhong WANG ; Zihao ZHANG ; Kaijian XIA ; Yanting ZHOU ; Meijuan XI ; Jian CHEN
Chinese Acupuncture & Moxibustion 2025;45(4):413-420
OBJECTIVE:
To develop an artificial intelligence-assisted system for the automatic detection of the features of common 21 auricular points based on the YOLOv8 neural network.
METHODS:
A total of 660 human auricular images from three research centers were collected from June 2019 to February 2024. The rectangle boxes and features of images were annotated using the LabelMe5.3.1 tool and converted them into a format compatible with the YOLO model. Using these data, transfer learning and fine-tuning training were conducted on different scales of pretrained YOLO neural network models. The model's performance was evaluated on validation and test sets, including the mean average precision (mAP) at various thresholds, recall rate (recall), frames per second (FPS) and confusion matrices. Finally, the model was deployed on a local computer, and the real-time detection of human auricular images was conducted using a camera.
RESULTS:
Five different versions of the YOLOv8 key-point detection model were developed, including YOLOv8n, YOLOv8s, YOLOv8m, YOLOv8l, and YOLOv8x. On the validation set, YOLOv8n showed the best performance in terms of speed (225.736 frames per second) and precision (0.998). On the external test set, YOLOv8n achieved the accuracy of 0.991, the sensitivity of 1.0, and the F1 score of 0.995. The localization performance of auricular point features showed the average accuracy of 0.990, the precision of 0.995, and the recall of 0.997 under 50% intersection ration (mAP50).
CONCLUSION
The key-point detection model of 21 common auricular points based on YOLOv8n exhibits the excellent predictive performance, which is capable of rapidly and automatically locating and classifying auricular points.
Humans
;
Neural Networks, Computer
;
Artificial Intelligence
;
Acupuncture Points
9.Research status of automatic localization of acupoint based on deep learning.
Yuge DONG ; Chengbin WANG ; Weigang MA ; Weifang GAO ; Yuzi TANG ; Yonglong ZHANG ; Jiwen QIU ; Haiyan REN ; Zhongzheng LI ; Tianyi ZHAO ; Zhongxi LV ; Xingfang PAN
Chinese Acupuncture & Moxibustion 2025;45(5):586-592
This paper reviews the published articles of recent years on the application of deep learning methods in automatic localization of acupoint, and summarizes it from 3 key links, i.e. the dataset construction, the neural network model design, and the accuracy evaluation of acupoint localization. The significant progress has been obtained in the field of deep learning for acupoint localization, but the scale of acupoint detection needs to be expanded and the precision, the generalization ability, and the real-time performance of the model be advanced. The future research should focus on the support of standardized datasets, and the integration of 3D modeling and multimodal data fusion, so as to increase the accuracy and strengthen the personalization of acupoint localization.
Deep Learning
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Acupuncture Points
;
Humans
;
Neural Networks, Computer
10.Role of artificial intelligence in medical image analysis.
Lu WANG ; Shimin ZHANG ; Nan XU ; Qianqian HE ; Yuming ZHU ; Zhihui CHANG ; Yanan WU ; Huihan WANG ; Shouliang QI ; Lina ZHANG ; Yu SHI ; Xiujuan QU ; Xin ZHOU ; Jiangdian SONG
Chinese Medical Journal 2025;138(22):2879-2894
With the emergence of deep learning techniques based on convolutional neural networks, artificial intelligence (AI) has driven transformative developments in the field of medical image analysis. Recently, large language models (LLMs) such as ChatGPT have also started to achieve distinction in this domain. Increasing research shows the undeniable role of AI in reshaping various aspects of medical image analysis, including processes such as image enhancement, segmentation, detection in image preprocessing, and postprocessing related to medical diagnosis and prognosis in clinical settings. However, despite the significant progress in AI research, studies investigating the recent advances in AI technology in the aforementioned aspects, the changes in research hotspot trajectories, and the performance of studies in addressing key clinical challenges in this field are limited. This article provides an overview of recent advances in AI for medical image analysis and discusses the methodological profiles, advantages, disadvantages, and future trends of AI technologies.
Artificial Intelligence
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Humans
;
Image Processing, Computer-Assisted/methods*
;
Neural Networks, Computer
;
Deep Learning
;
Diagnostic Imaging/methods*

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