Jul 2026· BMC Medical Informatics and Decision Making· Vol 26· 0 citations· 67 references
Medicine
TL;DR
This work proposes a graph representation learning model for predicting drug administration using the MIMIC-III database, which contains over 53K critical care admissions, and designs a heterogeneous, weighted, directed, and multi-feature graph from patient demographics, diagnoses, and drug administration records.
Abstract
The management of drug administration to patients promotes the customisation and accuracy of the treatments, reducing the risk of ineffective therapies and negative drug effects, and improving drug efficiency and management. We propose a graph representation learning model for predicting drug administration using the MIMIC-III database, which contains over 53K critical care admissions. We design a heterogeneous, weighted, directed, and multi-feature graph from patient demographics, diagnoses, and drug administration records. Our method uses a graph convolutional network to process node and edge features, predicting edge connections between patients and drugs. This choice enables us to analyse database properties, such as the relationship between drug administration and demographic classes, as well as the prediction accuracy with respect to drug occurrence. We analyse the results in terms of correct, false positive, and false negative edge predictions of drug-patient administration. Our method has an accuracy of \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\boldsymbol{84.4\%}$$\end{document} on the MIMIC-III database, with an F1-score of \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\boldsymbol{0.84}$$\end{document}. We discuss the training results regarding convergence and execution time, analyse the accuracy on low-occurrence drugs, and compare our method with previous work. Previous work has focused primarily on query and classification tasks for feature extraction and diagnosis prediction, achieving comparable accuracy but is often limited to specific pathologies (e.g., diabetes), patient groups (e.g., pregnant women), or drug types (e.g., antibiotics). Our approach processes heterogeneous data encompassing various patient characteristics, pathologies, and drug types, providing a more comprehensive and scalable solution.
This review systematically analyzes key challenges in DDI prediction: balancing model performance with interpretability, integrating heterogeneous features, ensuring sample set reliability, and optimizing algorithmic architectures, and outlines promising directions for future innovation.
Yun Zuo, Jia-Yi Ji, Yuwen Li et al.· Current Bioinformatics· 0 citations
A claim-centered framework is introduced that clarifies which claims current DDI benchmarks can support and what additional evidence is needed before predictions can guide prescribing or monitoring and shows that useful explanations require evidence alignment and actionability in addition to visual plausibility.
Jing-Xiang Yang· Computers and artificial int...· 0 citations
GATROF provides a new integrated predictive framework for predicting potential microbe–drug associations by combining heterogeneous biological information, GAT-based topological representation learning, and Rotation Forest classification, and may help prioritize candidate drug–microbe associations for further biologica...
Jing Li, Jun-Cai Li, Qi-Jia Chen et al.· Frontiers in Bioinformatics· 0 citations
Experimental results demonstrate that MoTRANet outperforms existing mainstream baseline methods in terms of Jaccard, F1, and PRAUC, while achieving a relatively low DDI rate, validating the model's accuracy and safety.
Peng-Tao Jia, Jun-Hao Gao, Jing-Tao Sha et al.· IEEE transactions on computa...· 0 citations
An innovative dual-branch approach based on Graph Isomorphism Network drug representations coupled with a Multilayer Perceptron (MLP) for 50-dimensional ssGSEA pathway activities calculated from CCLE gene expression is proposed, proving the importance of biological features in the two-branch model.
A novel model named Graph-based Multi-View Learning for Drug Recommendation, which combines semantic information of drugs learned from electronic health records (EHRs) and drug molecular structures are extracted and achieves safe and effective drug recommendations.
Yanjie Zhao, Xiaomei Yu, Jianlong Zhao et al.· 0 citations
We use cookies to run the site and, with your consent, for analytics and to show ads.
See our Cookie Policy.