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The extraction of biomedical data has significant academic and practical value in contemporary biomedical sciences. In recent years, drug repositioning, a cost-effective strategy for drug development by discovering new indications for…

Machine Learning · Computer Science 2025-01-20 Enqiang Zhu , Xiang Li , Chanjuan Liu , Nikhil R. Pal

Objective. The impact of social determinants of health (SDoH) on patients' healthcare quality and the disparity is well-known. Many SDoH items are not coded in structured forms in electronic health records. These items are often captured in…

Computation and Language · Computer Science 2022-12-27 Xingmeng Zhao , Anthony Rios

MiRNAs, due to their role in gene regulation, have paved a new pathway for pharmacology, focusing on drug development that targets miRNAs. However, traditional wet lab experiments are limited by efficiency and cost constraints, making it…

Machine Learning · Computer Science 2025-12-08 Ziqi Zhang

Combination therapies have become the standard of care for diseases such as cancer, tuberculosis, malaria and HIV. However, the combinatorial set of available multi-drug treatments creates a challenge in identifying effective combination…

Computation and Language · Computer Science 2022-05-06 Aryeh Tiktinsky , Vijay Viswanathan , Danna Niezni , Dana Meron Azagury , Yosi Shamay , Hillel Taub-Tabib , Tom Hope , Yoav Goldberg

Clinicians prescribe antibiotics by looking at the patient's health record with an experienced eye. However, the therapy might be rendered futile if the patient has drug resistance. Determining drug resistance requires time-consuming…

Artificial Intelligence · Computer Science 2023-03-09 Honglin Shu , Pei Gao , Lingwei Zhu , Zheng Chen

Background: In silico drug-target interaction (DTI) prediction plays an integral role in drug repositioning: the discovery of new uses for existing drugs. One popular method of drug repositioning is network-based DTI prediction, which uses…

Artificial Intelligence · Computer Science 2017-11-02 Yiding Lu , Yufan Guo , Anna Korhonen

Personalized drug response has received public awareness in recent years. How to combine gene test result and drug sensitivity records is regarded as essential in the real-world implementation. Research articles are good sources to train…

Social and Information Networks · Computer Science 2019-06-20 Shiyin Wang

High-dimensional biomarkers such as genomics are increasingly being measured in randomized clinical trials. Consequently, there is a growing interest in developing methods that improve the power to detect biomarker-treatment interactions.…

Methodology · Statistics 2021-04-30 Jixiong Wang , Ashish Patel , James M. S. Wason , Paul J. Newcombe

The occurrence of drug-drug-interactions (DDI) from multiple drug dispensations is a serious problem, both for individuals and health-care systems, since patients with complications due to DDI are likely to reenter the system at a costlier…

Social and Information Networks · Computer Science 2020-01-03 Rion Brattig Correia , Luciana P. de Araújo , Mauro M. Mattos , Luis M. Rocha

Accurately predicting drug-drug interactions (DDIs) is crucial for pharmaceutical research and clinical safety. Recent deep learning models often suffer from high computational costs and limited generalization across datasets. In this…

Biomolecules · Quantitative Biology 2025-04-01 Manel Gil-Sorribes , Alexis Molina

Network science is already making an impact on the study of complex systems and offers a promising variety of tools to understand their formation and evolution (1-4) in many disparate fields from large communication networks (5,6),…

Biomolecules · Quantitative Biology 2007-11-13 Jose C Nacher , Jean-Marc Schwartz

Predicting drug-gene associations is crucial for drug development and disease treatment. While graph neural networks (GNN) have shown effectiveness in this task, they face challenges with data sparsity and efficient contrastive learning…

Machine Learning · Computer Science 2025-02-14 Jiayang Wu , Wensheng Gan , Philip S. Yu

Combination drug therapies are treatment regimens that involve two or more drugs, administered more commonly for patients with cancer, HIV, malaria, or tuberculosis. Currently there are over 350K articles in PubMed that use the "combination…

Computation and Language · Computer Science 2023-03-30 Yuhang Jiang , Ramakanth Kavuluru

Motivation: Predicting the drug-target interaction is crucial for drug discovery as well as drug repurposing. Machine learning is commonly used in drug-target affinity (DTA) problem. However, machine learning model faces the cold-start…

Biomolecules · Quantitative Biology 2022-02-03 Tri Minh Nguyen , Thin Nguyen , Truyen Tran

In drug discovery, identifying drug-target interactions (DTIs) via experimental approaches is a tedious and expensive procedure. Computational methods efficiently predict DTIs and recommend a small part of potential interacting pairs for…

Quantitative Methods · Quantitative Biology 2022-01-19 Bin Liu , Grigorios Tsoumakas

In the treatment of complex diseases, treatment regimens using a single drug often yield limited efficacy and can lead to drug resistance. In contrast, combination drug therapies can significantly improve therapeutic outcomes through…

Machine Learning · Computer Science 2026-04-24 Jiyan Song , Wenyang Wang , Chengcheng Yan , Zhiquan Han , Feifei Zhao

Drug combination therapy is a well-established strategy for disease treatment with better effectiveness and less safety degradation. However, identifying novel drug combinations through wet-lab experiments is resource intensive due to the…

Machine Learning · Computer Science 2023-01-18 Zhihang Hu , Qinze Yu , Yucheng Guo , Taifeng Wang , Irwin King , Xin Gao , Le Song , Yu Li

Sampling is an established technique to scale graph neural networks to large graphs. Current approaches however assume the graphs to be homogeneous in terms of relations and ignore relation types, critically important in biomedical graphs.…

Machine Learning · Computer Science 2021-05-31 Arthur Feeney , Rishabh Gupta , Veronika Thost , Rico Angell , Gayathri Chandu , Yash Adhikari , Tengfei Ma

Adverse drug interactions are a critical concern in pharmacovigilance, as both clinical trials and spontaneous reporting systems often lack the breadth to detect complex drug interactions. This study introduces a computational framework for…

Applications · Statistics 2025-04-02 Jules Bangard , Einar Holsbø , Kristian Svendsen , Vittorio Perduca , Etienne Birmelé

The necessity of predictive models in the drug discovery industry cannot be understated. With the sheer volume of potentially useful compounds that are considered for use, it is becoming increasingly computationally difficult to investigate…

Quantitative Methods · Quantitative Biology 2020-05-22 Alun Stokes , William Hum , Jonathan Zaslavsky