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To date, there are no effective treatments for most neurodegenerative diseases. However, certain foods may be associated with these diseases and bring an opportunity to prevent or delay neurodegenerative progression. Our objective is to…

Artificial Intelligence · Computer Science 2021-10-26 Yi Nian , Jingcheng Du , Larry Bu , Fang Li , Xinyue Hu , Yuji Zhang , Cui Tao

Background: Identifying new indications for approved drugs is a complex and time-consuming process that requires extensive knowledge of pharmacology, clinical data, and advanced computational methods. Recently, deep learning (DL) methods…

Machine Learning · Computer Science 2025-11-13 Shuting Jin , Yi Jiang , Yimin Liu , Tengfei Ma , Dongsheng Cao , Leyi Wei , Xiangrong Liu , Xiangxiang Zeng

We propose a novel neural method to extract drug-drug interactions (DDIs) from texts using external drug molecular structure information. We encode textual drug pairs with convolutional neural networks and their molecular pairs with graph…

Computation and Language · Computer Science 2018-05-16 Masaki Asada , Makoto Miwa , Yutaka Sasaki

Objective: To develop a corpus annotated for diet-microbiome associations from the biomedical literature and train natural language processing (NLP) models to identify these associations, thereby improving the understanding of their role in…

Computation and Language · Computer Science 2025-04-01 Gibong Hong , Veronica Hindle , Nadine M. Veasley , Hannah D. Holscher , Halil Kilicoglu

miRNA mRNA relations are closely linked to several biological processes and disease mechanisms In a recent study we tested the performance of large language models LLMs on extracting miRNA mRNA relations from PubMed PubMedBERT achieved the…

Multi-scale biomedical knowledge networks are expanding with emerging experimental technologies that generates multi-scale biomedical big data. Link prediction is increasingly used especially in bipartite biomedical networks to identify…

Social and Information Networks · Computer Science 2022-02-25 Jinjiang Guo , Jie Li , Dawei Leng , Lurong Pan

Drug discovery (DD) has tremendously contributed to maintaining and improving public health. Hypothesizing that inhibiting protein misfolding can slow disease progression, researchers focus on target identification (Target ID) to find…

Quantitative Methods · Quantitative Biology 2025-01-29 Ziwen Li , Xiang 'Anthony' Chen , Youngseung Jeon

Knowledge Graphs have been one of the fundamental methods for integrating heterogeneous data sources. Integrating heterogeneous data sources is crucial, especially in the biomedical domain, where central data-driven tasks such as drug…

Machine Learning · Computer Science 2020-12-22 Islam Akef Ebeid , Majdi Hassan , Tingyi Wanyan , Jack Roper , Abhik Seal , Ying Ding

Objective: To discover candidate drugs to repurpose for COVID-19 using literature-derived knowledge and knowledge graph completion methods. Methods: We propose a novel, integrative, and neural network-based literature-based discovery (LBD)…

Computation and Language · Computer Science 2021-02-10 Rui Zhang , Dimitar Hristovski , Dalton Schutte , Andrej Kastrin , Marcelo Fiszman , Halil Kilicoglu

Accurately predicting drug-drug interactions (DDI) for emerging drugs, which offer possibilities for treating and alleviating diseases, with computational methods can improve patient care and contribute to efficient drug development.…

Quantitative Methods · Quantitative Biology 2023-11-17 Yongqi Zhang , Quanming Yao , Ling Yue , Xian Wu , Ziheng Zhang , Zhenxi Lin , Yefeng Zheng

Drug-drug interactions (DDIs) are a major concern in clinical practice, as they can lead to reduced therapeutic efficacy or severe adverse effects. Traditional computational approaches often struggle to capture the complex relationships…

Machine Learning · Computer Science 2025-08-27 Hongbo Liu , Siyi Li , Zheng Yu

PubMed is an essential resource for the medical domain, but useful concepts are either difficult to extract or are ambiguated, which has significantly hindered knowledge discovery. To address this issue, we constructed a PubMed knowledge…

The rapid expansion of publicly-available medical data presents a challenge for clinicians and researchers alike, increasing the gap between the volume of scientific literature and its applications. The steady growth of studies and findings…

Artificial Intelligence · Computer Science 2025-08-06 Taine J. Elliott , Stephen P. Levitt , Ken Nixon , Martin Bekker

Accurate prediction of drug-drug interactions (DDI) is crucial for medication safety and effective drug development. However, existing methods often struggle to capture structural information across different scales, from local functional…

Machine Learning · Computer Science 2026-03-27 Zimo Yan , Jie Zhang , Zheng Xie , Yiping Song , Hao Li

Developing and discovering new drugs is a complex and resource-intensive endeavor that often involves substantial costs, time investment, and safety concerns. A key aspect of drug discovery involves identifying novel drug-target (DT)…

Machine Learning · Computer Science 2024-02-13 Rakesh Bal , Yijia Xiao , Wei Wang

Identifying relationships between concepts is a key aspect of scientific knowledge synthesis. Finding these links often requires a researcher to laboriously search through scien- tific papers and databases, as the size of these resources…

Computation and Language · Computer Science 2016-02-12 Stephanie L. Hyland , Theofanis Karaletsos , Gunnar Rätsch

Drug-drug interactions (DDIs) represent a critical challenge in pharmacology, often leading to adverse drug reactions with significant implications for patient safety and healthcare outcomes. While graph-based methods have achieved strong…

Machine Learning · Computer Science 2025-07-15 Mengjie Chen , Ming Zhang , Cunquan Qu

Most existing methods for predicting drug-drug interactions (DDI) predominantly concentrate on capturing the explicit relationships among drugs, overlooking the valuable implicit correlations present between drug pairs (DPs), which leads to…

Machine Learning · Computer Science 2024-02-29 Mengying Jiang , Guizhong Liu , Yuanchao Su , Weiqiang Jin , Biao Zhao

Biomedical knowledge is fragmented across siloed databases -- Reactome for pathways, STRING for protein interactions, ClinicalTrials.gov for study registries, DrugBank for drug vocabularies, DGIdb for drug-gene interactions, SIDER for side…

Databases · Computer Science 2026-03-19 Madhulatha Mandarapu , Sandeep Kunkunuru

Objective: Disease knowledge graphs are a way to connect, organize, and access disparate information about diseases with numerous benefits for artificial intelligence (AI). To create knowledge graphs, it is necessary to extract knowledge…

Machine Learning · Computer Science 2022-09-01 Yucong Lin , Keming Lu , Sheng Yu , Tianxi Cai , Marinka Zitnik