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Comparative analysis of deep learning and machine learning techniques for forecasting new malaria cases in Cameroon’s Adamaoua region 深度学习和机器学习技术在喀麦隆阿达马乌阿地区预测新疟疾病例的比较分析
Pub Date : 2025-01-01 DOI: 10.1016/j.ibmed.2025.100220
Esaie Naroum , Ebenezer Maka Maka , Hamadjam Abboubakar , Paul Dayang , Appolinaire Batoure Bamana , Benjamin Garga , Hassana Daouda Daouda , Mohsen Bakouri , Ilyas Khan
The Plasmodium parasite, which causes malaria is transmitted by Anopheles mosquitoes, and remains a major development barrier in Africa. This is particularly true considering the conducive environment that promotes the spread of malaria. This study examines several machine learning approaches, such as long short term memory (LSTM), random forests (RF), support vector machines (SVM), and data regularization models including Ridge, Lasso, and ElasticNet, in order to forecast the occurrence of malaria in the Adamaoua region of Cameroon. The LSTM, a recurrent neural network variant, performed the best with 76% accuracy and a low error rate (RMSE = 0.08). Statistical evidence indicates that temperatures exceeding 34 degrees halt mosquito vector reproduction, thereby slowing the spread of malaria. However, humidity increases the morbidity of the condition. The survey also identified high-risk areas in Ngaoundéré Rural and Urban and Meiganga. Between 2018 and 2022, the Adamaoua region had 20.1%, 12.3%, and 10.0% of malaria cases, respectively, in these locations. According to the estimate, the number of malaria cases in the Adamaoua region will rise gradually between 2023 and 2026, peaking in 2029 before declining in 2031.
引起疟疾的疟原虫是由按蚊传播的,它仍然是非洲的一个主要发展障碍。考虑到促进疟疾传播的有利环境,这一点尤其正确。本研究探讨了几种机器学习方法,如长短期记忆(LSTM)、随机森林(RF)、支持向量机(SVM)和数据正则化模型(包括Ridge、Lasso和ElasticNet),以预测喀麦隆阿达马瓦地区疟疾的发生。LSTM,一种循环神经网络变体,表现最好,准确率为76%,错误率低(RMSE = 0.08)。统计证据表明,超过34度的温度会阻止蚊子媒介的繁殖,从而减缓疟疾的传播。然而,湿度增加了病情的发病率。调查还确定了恩oundd农村和城市以及梅甘加的高风险地区。2018年至2022年期间,阿达马乌瓦地区分别占这些地区疟疾病例的20.1%、12.3%和10.0%。据估计,阿达马乌瓦地区的疟疾病例数将在2023年至2026年期间逐步上升,在2029年达到峰值,然后在2031年下降。
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引用次数: 0
Optimizing breast cancer diagnosis with convolutional autoencoders: Enhanced performance through modified loss functions 用卷积自编码器优化乳腺癌诊断:通过修改损失函数增强性能
Pub Date : 2025-01-01 DOI: 10.1016/j.ibmed.2025.100248
ArunaDevi Karuppasamy , Hamza zidoum , Majda Said Sultan Al-Rashdi , Maiya Al-Bahri
The Deep Learning (DL) has demonstrated a significant impact on a various pattern recognition applications, resulting in significant advancements in areas such as visual recognition, autonomous cars, language processing, and healthcare. Nowadays, deep learning was widely applied on the medical images to identify the diseases efficiently. Still, the use of applications in clinical settings is now limited to a small number. The main factors to this might be due to an inadequate annotated data, noises in the images and challenges related to collecting data. Our research proposed a convolutional autoencoder to classify the breast cancer tumors, using the Sultan Qaboos University Hospital(SQUH) and BreakHis datasets. The proposed model named Convolutional AutoEncoder with modified Loss Function (CAE-LF) achieved a good performance, by attaining a F1-score of 0.90, recall of 0.89, and accuracy of 91%. The results obtained are comparable to those obtained in earlier researches. Additional analyses conducted on the SQUH dataset demonstrate that it yields a good performance with an F1-score of 0.91, 0.93, 0.92, and 0.93 for 4x, 10x, 20x, and 40x magnifications, respectively. Our study highlights the potential of deep learning in analyzing medical images to classify breast tumors.
深度学习(DL)已经对各种模式识别应用产生了重大影响,在视觉识别、自动驾驶汽车、语言处理和医疗保健等领域取得了重大进展。目前,深度学习被广泛应用于医学图像,以有效地识别疾病。尽管如此,应用程序在临床环境中的使用现在仅限于少数。造成这种情况的主要因素可能是由于注释数据不足,图像中的噪声以及与收集数据相关的挑战。我们的研究提出了一种卷积自编码器来分类乳腺癌肿瘤,使用苏丹卡布斯大学医院(SQUH)和BreakHis数据集。所提出的基于改进损失函数的卷积自编码器(CAE-LF)模型取得了良好的性能,f1得分为0.90,召回率为0.89,准确率为91%。所得结果与早期的研究结果相当。对SQUH数据集进行的进一步分析表明,在4倍、10倍、20倍和40倍的放大倍数下,它的f1得分分别为0.91、0.93、0.92和0.93,表现良好。我们的研究强调了深度学习在分析医学图像以分类乳腺肿瘤方面的潜力。
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引用次数: 0
Nanotechnology and machine learning: a promising confluence for the advancement of precision medicine 纳米技术和机器学习:精密医学进步的有希望的融合
Pub Date : 2025-01-01 DOI: 10.1016/j.ibmed.2025.100267
Shuaibu Saidu Musa , Adamu Muhammad Ibrahim , Muhammad Yasir Alhassan , Abubakar Hafs Musa , Abdulrahman Garba Jibo , Auwal Rabiu Auwal , Olalekan John Okesanya , Zhinya Kawa Othman , Muhammad Sadiq Abubakar , Mohamed Mustaf Ahmed , Carina Joane V. Barroso , Abraham Fessehaye Sium , Manuel B. Garcia , James Brian Flores , Adamu Safiyanu Maikifi , M.B.N. Kouwenhoven , Don Eliseo Lucero-Prisno
The fusion of molecular-scale engineering in nanotechnology with machine learning (ML) analytics is reshaping the field of precision medicine. Nanoparticles enable ultrasensitive diagnostics, targeted drug and gene delivery, and high-resolution imaging, whereas ML models mine vast multimodal datasets to optimize nanoparticle design, enhance predictive accuracy, and personalize treatment in real-time. Recent breakthroughs include ML-guided formulations of lipid, polymeric, and inorganic carriers that cross biological barriers; AI-enhanced nanosensors that flag early disease from breath, sweat, or blood; and nanotheranostic agents that simultaneously track and treat tumors. Comparative insights into Retrieval-Augmented Generation and supervised learning pipelines reveal distinct advantages for nanodevice engineering across diverse data environments. An expanded focus on explainable AI tools, such as SHAP, LIME, Grad-CAM, and Integrated Gradients, highlights their role in enhancing transparency, trust, and interpretability in nano-enabled clinical decisions. A structured narrative review method was applied, and key ML model performances were synthesized to strengthen analytical clarity. Emerging biodegradable nanomaterials, autonomous micro-nanorobots, and hybrid lab-on-chip systems promise faster point-of-care decisions but raise pressing questions about data integrity, interpretability, scalability, regulation, ethics, and equitable access. Addressing these hurdles will require robust data standards, privacy safeguards, interdisciplinary R&D networks, and flexible approval pathways to translate bench advances into bedside benefits for patients. This review synthesizes the current landscape, critical challenges, and future directions at the intersection of nanotechnology and ML in precision medicine.
纳米技术中的分子尺度工程与机器学习(ML)分析的融合正在重塑精准医学领域。纳米颗粒可以实现超灵敏的诊断、靶向药物和基因传递以及高分辨率成像,而ML模型可以挖掘大量的多模态数据集来优化纳米颗粒设计,提高预测准确性,并实时个性化治疗。最近的突破包括:ml引导的脂质、聚合物和无机载体跨越生物屏障的配方;人工智能增强的纳米传感器可以从呼吸、汗液或血液中发现早期疾病;纳米治疗剂可以同时追踪和治疗肿瘤。对检索增强生成和监督学习管道的比较研究揭示了纳米器件工程在不同数据环境中的独特优势。进一步关注可解释的人工智能工具,如SHAP、LIME、Grad-CAM和集成梯度,强调了它们在提高纳米临床决策的透明度、信任和可解释性方面的作用。采用结构化的叙事回顾方法,综合ML模型的关键性能,增强分析的清晰度。新兴的可生物降解纳米材料、自主微纳米机器人和混合芯片实验室系统承诺更快地做出护理点决策,但也提出了关于数据完整性、可解释性、可扩展性、监管、伦理和公平获取的紧迫问题。解决这些障碍需要健全的数据标准、隐私保护、跨学科研发网络和灵活的审批途径,才能将实验成果转化为患者的临床益处。这篇综述综合了纳米技术和机器学习在精准医学领域交叉的现状、关键挑战和未来方向。
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引用次数: 0
PU-MLP: A PU-learning based method for polypharmacy side-effects detection based on multi-layer perceptron and feature extraction techniques PU-MLP:一种基于pu学习的基于多层感知器和特征提取技术的多药副作用检测方法
Pub Date : 2025-01-01 DOI: 10.1016/j.ibmed.2025.100265
Abedin Keshavarz, Amir Lakizadeh
Polypharmacy, or the concurrent use of multiple medications, increases the risk of adverse effects due to drug interactions. As polypharmacy becomes more prevalent, forecasting these interactions is essential in the pharmaceutical field. Due to the limitations of clinical trials in detecting rare side effects associated with polypharmacy, computational methods are being developed to model these adverse effects. This study introduces a method named PU-MLP, based on a Multi-Layer Perceptron, to predict side effects from drug combinations. This research utilizes advanced machine learning techniques to explore the connections between medications and their adverse effects. The approach consists of three key stages: first, it creates an optimal representation of each drug using a combination of a random forest classifier, Graph Neural Networks (GNNs), and dimensionality reduction techniques. Second, it employs Positive Unlabeled learning to address data uncertainty. Finally, a Multi-Layer Perceptron model is utilized to predict polypharmacy side effects. Performance evaluation using 5-fold cross-validation shows that the proposed method surpasses other approaches, achieving impressive scores of 0.99, 0.99, and 0.98 in AUPR, AUC, and F1 measures, respectively.
多种用药,或同时使用多种药物,由于药物相互作用,增加了不良反应的风险。随着多药制药变得越来越普遍,预测这些相互作用在制药领域是必不可少的。由于临床试验在检测与多种药物相关的罕见副作用方面的局限性,正在开发计算方法来模拟这些副作用。本研究提出了一种基于多层感知机的PU-MLP方法来预测药物组合的副作用。这项研究利用先进的机器学习技术来探索药物及其副作用之间的联系。该方法包括三个关键阶段:首先,它使用随机森林分类器、图神经网络(gnn)和降维技术的组合创建每种药物的最佳表示。其次,它采用正无标签学习来解决数据的不确定性。最后,利用多层感知器模型对多药副作用进行预测。使用5倍交叉验证的性能评估表明,所提出的方法优于其他方法,在AUPR、AUC和F1指标上分别取得了令人印象深刻的0.99、0.99和0.98的分数。
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引用次数: 0
LCSNet: Lightweight Caries Segmentation Network for the segmentation of dental caries using smartphone photographs LCSNet:轻量级的龋齿分割网络,用于使用智能手机照片分割龋齿
Pub Date : 2025-01-01 DOI: 10.1016/j.ibmed.2025.100304
Radha R.C. , B.S. Raghavendra , Rishabh Kumar Hota , K.R. Vijayalakshmi , Seema Patil , A.V. Narasimhadhan
Dental caries is one of the major dental issues that is common among many individuals. It leads to tooth loss and affects the tooth root, creating a need to automatically detect dental caries to reduce treatment costs and prevent its consequences. The Lightweight Caries Segmentation Network (LCSNet) proposed in this study detects the location of dental caries by applying pixel-wise segmentation to dental photographs taken with various Android phones. LCSNet utilizes a Dual Multiscale Residual (DMR) block in both the encoder and decoder, adapts transfer learning through a pre-trained InceptionV3 model at the bottleneck layer, and incorporates a Squeeze and Excitation block in the skip connection, effectively extracting spatial information even from images where 95 % of the background and only 5 % represent the area of interest. A new dataset was developed by gathering oral photographs of dental caries from two hospitals, with advanced augmentation techniques applied. The LCSNet architecture demonstrated an accuracy of 97.36 %, precision of 73.1 %, recall of 70.2 %, an F1-Score of 71.14 %, and an Intersection-over-Union (IoU) of 56.8 %. Expert dentists confirmed that the LCSNet model proposed in this in vivo study accurately segments the position and texture of dental caries. Both qualitative and quantitative performance analyses, along with comparative analyses of efficiency and computational requirements, were conducted with other deep learning models. The proposed model outperforms existing deep learning models and shows significant potential for integration into a smartphone application-based oral disease detection system, potentially replacing some conventional clinically adapted methods.
龋齿是许多人常见的主要牙齿问题之一。它会导致牙齿脱落并影响牙根,因此需要自动检测龋齿,以减少治疗费用并预防其后果。本研究提出的轻量级龋齿分割网络(LCSNet)通过对各种Android手机拍摄的牙齿照片进行逐像素分割来检测龋齿的位置。LCSNet在编码器和解码器中都使用了双多尺度残差(DMR)块,通过瓶颈层预训练的InceptionV3模型适应迁移学习,并在跳过连接中结合了挤压和激励块,即使从95%的背景和只有5%代表感兴趣区域的图像中也能有效地提取空间信息。通过收集来自两家医院的龋齿口腔照片,并应用先进的增强技术,开发了一个新的数据集。LCSNet体系结构的准确率为97.36%,准确率为73.1%,召回率为70.2%,F1-Score为71.14%,IoU为56.8%。专家牙医证实,在体内研究中提出的LCSNet模型准确地分割了蛀牙的位置和质地。定性和定量的性能分析,以及效率和计算需求的比较分析,都与其他深度学习模型进行了比较。所提出的模型优于现有的深度学习模型,并显示出集成到基于智能手机应用程序的口腔疾病检测系统的巨大潜力,有可能取代一些传统的临床适应方法。
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引用次数: 0
Uncertainty-aware hybrid optimization for robust cardiovascular disease detection: A clinical translation framework 不确定性感知混合优化稳健心血管疾病检测:临床翻译框架
Pub Date : 2025-01-01 DOI: 10.1016/j.ibmed.2025.100302
Tamanna Jena , Rahul Suryodai , Desidi Narsimha Reddy , Kambala Vijaya Kumar , Elangovan Muniyandy , N.V. Phani Sai Kumar

Background

Cardiovascular disease causes 17.9 million deaths annually, yet current AI systems achieve ∼82 % accuracy without uncertainty quantification—limiting clinical utility where prediction confidence directly guides life-saving treatment decisions.

Objective

We developed an uncertainty-aware hybrid optimization framework for robust CVD detection that provides clinicians with both risk predictions and confidence intervals, enabling personalized decision-making under real-world clinical conditions.

Methods

Our clinical translation framework integrates multiple complementary AI models (Gaussian processes, gradient-boosted trees, Transformers) through uncertainty-guided optimization. Key clinical innovations include: (1) real-time uncertainty calibration responding to data quality variations, (2) dynamic model weighting adapting to individual patient characteristics, and (3) interpretable confidence intervals supporting clinical decision protocols.

Results

Clinical validation on 12,458 CVD patients from MIMIC-III and UK Biobank demonstrated clinically significant improvements: +1.4 % AUC (0.853 vs 0.839, p < 0.01) translating to 50 additional correct diagnoses per 10,000 patients, +1.5 % balanced accuracy, and 20 % better uncertainty calibration. The framework maintained robust performance (>80 % AUC) under realistic clinical noise while providing reliable confidence intervals across all risk levels.

Clinical translation

This framework delivers immediate clinical utility through real-time inference (<2s), FHIR-compliant EHR integration, and physician-validated uncertainty interpretation. Implementation prevents an estimated 50 missed diagnoses and 23 unnecessary procedures per 10,000 patients screened annually.

Conclusions

Our uncertainty-aware framework represents the first clinically ready AI system providing both accurate CVD risk assessment and trustworthy confidence measures, directly addressing physician adoption barriers and supporting personalized cardiovascular care.
背景:心血管疾病每年导致1790万人死亡,但目前的人工智能系统在没有不确定性量化的情况下达到了82%的准确率,这限制了临床实用性,预测置信度直接指导挽救生命的治疗决策。目的:我们开发了一个不确定性感知的混合优化框架,用于稳健的心血管疾病检测,为临床医生提供风险预测和置信区间,从而在现实临床条件下实现个性化决策。方法通过不确定性导向优化,sour临床翻译框架集成了多个互补的人工智能模型(高斯过程、梯度增强树、变形金刚)。关键的临床创新包括:(1)响应数据质量变化的实时不确定度校准,(2)适应个体患者特征的动态模型加权,以及(3)支持临床决策方案的可解释置信区间。结果:来自MIMIC-III和UK Biobank的12,458例CVD患者的临床验证显示出临床显着改善:+ 1.4%的AUC (0.853 vs 0.839, p < 0.01)转化为每10,000例患者额外50例正确诊断,+ 1.5%的平衡准确性和20%的不确定度校准。该框架在真实的临床噪声下保持稳健的性能(80% AUC),同时在所有风险水平上提供可靠的置信区间。临床翻译该框架通过实时推理(<2s)、符合fhir的EHR集成和医生验证的不确定性解释,提供即时的临床效用。每年每1万名接受筛查的患者中,估计有50例漏诊和23例不必要的手术得到预防。结论我们的不确定性感知框架代表了第一个临床就绪的人工智能系统,提供准确的心血管疾病风险评估和可信赖的信心措施,直接解决医生采用障碍并支持个性化心血管护理。
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引用次数: 0
Speech biomarkers predict amyloid status in cognitively unimpaired adults 语言生物标志物预测认知功能正常的成年人的淀粉样蛋白状态
Pub Date : 2025-01-01 DOI: 10.1016/j.ibmed.2025.100306
Peru Gabirondo , María García-Martínez , Ana Pozueta-Cantudo , Patricia Laura Maran , Patricia Dias , Tomas Rojo , Javier Jiménez-Raboso , Carmen Lage , Francisco Martínez-Dubarbie , Sara López-García , Marta Fernández-Matarrubia , Andrea Corrales-Pardo , María Bravo , Juan Irure-Ventura , Marcos López-Hoyos , Pascual Sánchez-Juan , Carla Zaldua , Eloy Rodríguez-Rodríguez
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引用次数: 0
Enhancing emotion recognition through multi-modal data fusion and graph neural networks 通过多模态数据融合和图神经网络增强情绪识别
Pub Date : 2025-01-01 DOI: 10.1016/j.ibmed.2025.100291
Kasthuri Devarajan , Suresh Ponnan , Sundresan Perumal
In this paper, a novel emotion detection system is proposed based on Graph Neural Network (GNN) architecture, which is used to integrate and learn from multiple data sets (EEG, face expression, physiological signals). The proposed GNN is able to learn about interactions between multiple modalities, so as to extract a single picture of emotion categorization. This model is very good and gets 91.25 % accuracy, 91.26 % precision, 91.25 % recall and 91.25 % F1-score. Moreover, the proposed GNN is a sensible trade-off between speed and precision, with a calculation time of 163 ms. The Proposed GNN is better, primarily due to its ability to represent complex relations between multi-modal inputs, thereby improving its real-time emotional state recognition and classification performance. The proposed GNN demonstrates its suitability for powerful emotion detection by outperforming all models in classification precision and multi-modal data fusion, surpassing traditional models such as SVM, KNN, CCA, CNN, and RNN. The Proposed GNN consistently proves to be the most accurate and robust solution, having been the most dominant technique in emotion detection, despite CNN and RNN achieving slightly better results.
本文提出了一种基于图神经网络(GNN)架构的情绪检测系统,该系统用于对多个数据集(EEG、面部表情、生理信号)进行整合和学习。提出的GNN能够学习多个模态之间的相互作用,从而提取出单一的情绪分类图像。该模型的准确率为91.25%,精密度为91.26%,召回率为91.25%,f1分数为91.25%。此外,所提出的GNN在速度和精度之间进行了合理的权衡,计算时间为163 ms。提出的GNN更好,主要是因为它能够表示多模态输入之间的复杂关系,从而提高了其实时情绪状态识别和分类性能。本文提出的GNN在分类精度和多模态数据融合方面优于所有模型,超越了SVM、KNN、CCA、CNN和RNN等传统模型,证明了它适合于强大的情感检测。尽管CNN和RNN取得了稍好的结果,但所提出的GNN始终被证明是最准确和鲁棒的解决方案,是情绪检测中最主要的技术。
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引用次数: 0
Clinical-ready CNN framework for lung cancer classification: Systematic optimization for healthcare deployment with enhanced computational efficiency 用于肺癌分类的临床就绪CNN框架:提高计算效率的医疗部署系统优化
Pub Date : 2025-01-01 DOI: 10.1016/j.ibmed.2025.100292
G. Inbasakaran, J. Anitha Ruth

Purpose

This study develops a computationally efficient Convolutional Neural Network (CNN) for lung cancer classification in Computed Tomography (CT) images, addressing the critical need for accurate diagnostic tools deployable in resource-constrained clinical settings.

Methods

Using the IQ-OTH/NCCD dataset (1190 CT images: normal, benign, and malignant classes from 110 patients), we implemented systematic architecture optimization with strategic data augmentation to address class imbalance and limited dataset challenges. Patient-level data splitting prevented leakage, ensuring valid performance metrics. The model was evaluated using 5-fold cross-validation and compared against established architectures using McNemar's test for statistical significance.

Results

The optimized CNN achieved 94 % classification accuracy with only 4.2 million parameters and 18 ms inference time. Performance significantly exceeded AlexNet (85 %), VGG-16 (88 %), ResNet-50 (90 %), InceptionV3 (87 %), and DenseNet (86 %) with p < 0.05. Malignant case detection showed excellent clinical metrics (precision: 0.96, recall: 0.95, F1-score: 0.95), critical for minimizing false negatives. Ablation studies revealed data augmentation contributed 6.6 % accuracy improvement, with rotation and translation proving most effective. The model operates 4.3 × faster than ResNet-50 while using 6 × fewer parameters, enabling deployment on standard clinical workstations with 4–8 GB GPU memory.

Conclusions

Carefully optimized CNN architectures can achieve superior diagnostic performance while meeting computational constraints of real-world medical settings. Our approach demonstrates that systematic optimization strategies effectively balance accuracy with clinical deployment feasibility, providing a practical framework for implementing AI-assisted lung cancer detection in resource-limited healthcare environments. The model's high sensitivity for malignant cases positions it as a valuable clinical decision support tool.
目的:本研究开发了一种计算效率高的卷积神经网络(CNN),用于计算机断层扫描(CT)图像中的肺癌分类,解决了在资源有限的临床环境中部署准确诊断工具的关键需求。方法利用iqoth /NCCD数据集(来自110例患者的1190张CT图像:正常、良性和恶性分类),通过战略性数据增强实现系统架构优化,以解决分类不平衡和数据集有限的挑战。患者级数据分割防止了泄漏,确保了有效的性能指标。该模型使用5倍交叉验证进行评估,并使用McNemar的统计显著性检验与已建立的架构进行比较。结果优化后的CNN只需要420万个参数和18 ms的推理时间,分类准确率达到94%。性能显著高于AlexNet(85%)、VGG-16(88%)、ResNet-50(90%)、InceptionV3(87%)和DenseNet (86%), p < 0.05。恶性病例的检出表现出优异的临床指标(准确率:0.96,召回率:0.95,f1评分:0.95),这对于减少假阴性至关重要。消融研究显示,数据增强提高了6.6%的准确性,旋转和平移被证明是最有效的。该模型的运行速度比ResNet-50快4.3倍,同时使用的参数减少了6倍,可在具有4-8 GB GPU内存的标准临床工作站上部署。结论经过精心优化的CNN架构在满足现实医疗环境计算约束的情况下,能够取得优异的诊断性能。我们的方法表明,系统优化策略有效地平衡了准确性和临床部署的可行性,为在资源有限的医疗环境中实施人工智能辅助肺癌检测提供了一个实用的框架。该模型对恶性病例的高敏感性使其成为一种有价值的临床决策支持工具。
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引用次数: 0
A drug recommendation system based on response prediction: Integrating gene expression and K-mer fragmentation of drug SMILES using LightGBM 基于反应预测的药物推荐系统:利用LightGBM整合药物SMILES的基因表达和K-mer碎片化
Pub Date : 2025-01-01 DOI: 10.1016/j.ibmed.2025.100206
Sajid Naveed , Mujtaba Husnain
Medical experts and physicians examine the gene expression abnormality in glioblastoma (GBM) cancer patients to identify the drug response. The main objective of this research is to build a machine learning (ML) based model for improve the outcome of cancer medication to save the time and effort of medical practitioners. Developing a drug response recommendation system is our goal that uses the gene expression data of cancer cell lines to predict the response of anticancer drugs in terms of half-maximal inhibitory concentration (IC50). Genetic data from a GBM cancer patient is used as input into a system to predict and recommend the response of multiple anticancer drugs in a particular cancer sample. In this research, we used K-mer molecular fragmentation to process drug SMILES in a novel way, which enabled us to build a competent model that provides drug response. We used the Light Gradient Boosting Machine (LightGBM) regression algorithm and Genomics of Drug Sensitivity of Cancer (GDSC) data for this proposed recommendation system. The results showed that all predicted IC50 values are fall within the range of the real values when examining GBM data. Two drugs, temozolomide and carmustine, were predicted with a Mean Squared Error (MSE) of 0.10 and 0.11 respectively, and 0.41 in unseen test samples. These recommended responses were then verified by expert doctors, who confirmed that the responses to these drugs were very close to the actual response. These recommendation are also effective in slowing the growth of these tumors and improving patients quality of life by monitoring medication effects.
医学专家和医生检查胶质母细胞瘤(GBM)癌症患者的基因表达异常,以确定药物反应。本研究的主要目的是建立一个基于机器学习(ML)的模型,以改善癌症药物治疗的结果,从而节省医生的时间和精力。我们的目标是开发一种药物反应推荐系统,利用癌细胞系的基因表达数据,以半最大抑制浓度(IC50)来预测抗癌药物的反应。来自GBM癌症患者的遗传数据被用作系统的输入,以预测和推荐多种抗癌药物对特定癌症样本的反应。在这项研究中,我们利用K-mer分子碎片以一种新颖的方式处理药物SMILES,这使我们能够建立一个提供药物反应的胜任模型。我们使用光梯度增强机(Light Gradient Boosting Machine, LightGBM)回归算法和癌症药物敏感性基因组学(Genomics of Drug Sensitivity of Cancer, GDSC)数据来构建这个推荐系统。结果表明,对GBM数据的预测IC50值均落在实际值的范围内。替莫唑胺和卡莫司汀两种药物的预测均方误差(MSE)分别为0.10和0.11,未见样品的预测均方误差为0.41。这些建议的反应然后由专家医生验证,他们确认对这些药物的反应非常接近实际反应。这些建议也有效地减缓这些肿瘤的生长,并通过监测药物效果来改善患者的生活质量。
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Intelligence-based medicine
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